2-Aminonicotinic acid - CAS 5345-47-1

Name: 2-Aminonicotinic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028227
Product Name:	2-Aminonicotinic acid
CAS:	5345-47-1
Synonyms:	H-NH(2)Nicot-OH; H-NH(2)Pyrd(3)-OH; 2-Aminionicotinic acid

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-aminopyridine-3-carboxylic acid
Description:	A component of hair dyes.
Molecular Weight:	138.13
Molecular Formula:	C6H6N2O2
Canonical SMILES:	C1=CC(=C(N=C1)N)C(=O)O
InChI:	InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
InChI Key:	KPIVDNYJNOPGBE-UHFFFAOYSA-N
Boiling Point:	342.3 °C at 760 mmHg
Melting Point:	295-297 °C (dec.)
Purity:	≥ 98 %
Density:	1.417 g/cm³
Appearance:	Solid
Storage:	Store at 2-8 °C
MDL:	MFCD00006318
LogP:	0.94320

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride
[76006-14-9]C6H4ClN3
3-Chloro-1H-pyrazolo[3,4-c]pyridine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112174958-A	Pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof	20201029
CN-112174958-B	Pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof	20201029
EP-3896114-A1	Novel compound, polyimide resin and method of producing the same, photosensitive resin composition, patterning method and method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414

PMID	Publication Date	Title	Journal
22366618	20120601	Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-aminonicotinic acid: a comparison of calculated spectroscopic properties with FT-IR and UV-vis	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22590365	20120501	2-Amino-3-carb-oxy-pyridinium chloride hemihydrate	Acta crystallographica. Section E, Structure reports online
21754219	20110401	Bis(2-amino-3-carb-oxy-pyridinium) sulfate trihydrate	Acta crystallographica. Section E, Structure reports online
21299207	20110318	Practical syntheses of a CXCR3 antagonist	The Journal of organic chemistry
21589613	20101127	2-Amino-pyridinium 1-phenyl-cyclo-propane-1-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5