4-Pyridazinecarboxylic acid - CAS 50681-25-9

Catalog:	BB027179
Product Name:	4-Pyridazinecarboxylic acid
CAS:	50681-25-9
Synonyms:	pyridazine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	pyridazine-4-carboxylic acid
Description:	4-Pyridazinecarboxylic acid (CAS# 50681-25-9) is the pyridazine analog of Nicotinic Acid (N429250). 4-Pyridazinecarboxylic Acid is a glutamate racemase inhibitor. It is also used in characterization study of nicotinic acid receptors in mouse macrophages.
Molecular Weight:	124.10
Molecular Formula:	C5H4N2O2
Canonical SMILES:	C1=CN=NC=C1C(=O)O
InChI:	InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChI Key:	JUSIWJONLKBPDU-UHFFFAOYSA-N
Boiling Point:	404.2 °C at 760 mmHg
Density:	1.403 g/cm³
MDL:	MFCD00011576
LogP:	0.17480

Publication Number	Title	Priority Date
CN-113501783-A	Erianin heterocyclic derivative and preparation method and application thereof	20210630
CN-111659436-A	Electronegative heteroatom-transition metal co-doped carbon-based non-noble metal electrocatalyst and preparation method thereof	20200519
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WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
KR-20210052269-A	Novel Compound for Crop Protection	20191029

PMID	Publication Date	Title	Journal
21836828	20110701	Poly[di-μ(2)-aqua-μ(2)-(5-methyl-pyrazine-2-carboxyl-ato)-(5-methyl-pyrazine-2-carboxyl-ato)-μ(3)-nitrato-trilithium]	Acta crystallographica. Section E, Structure reports online
21753953	20110401	Poly[aqua-(μ(3)-pyridazine-4-carboxyl-ato-κO:O:O')lithium]	Acta crystallographica. Section E, Structure reports online
21522250	20110209	trans-Tetra-aqua-bis-(pyridazine-4-car-box-yl-ato-κO)magnesium(II) dihydrate	Acta crystallographica. Section E, Structure reports online
21579020	20100417	Poly[aqua-(μ-pyrazine-2-carboxyl-ato-κN,O:O)(μ-pyrazine-2-carboxyl-ato-κN,O:O')lead(II)]	Acta crystallographica. Section E, Structure reports online
21578059	20091003	Di-μ-aqua-bis-(μ-pyridazine-4-carboxyl-ato-κN:N')bis-[triaqua-(pyridazine-4-carboxyl-ato-κO,O')lead(II)] dihydrate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Pyridazines

[92920-33-7]
3,6-Dichloro-4-fluoropyridazine
[89179-63-5]
3-Methoxy-4-pyridazinamine
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1120-88-3]
4-Methylpyridazine
[1098389-56-0]
2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid
[55271-49-3]
4,5-Dichloropyridazine

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

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.027277375
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3