3-Amino-2-pyridinecarbonitrile - CAS 42242-11-5

Catalog:	BB025084
Product Name:	3-Amino-2-pyridinecarbonitrile
CAS:	42242-11-5
Synonyms:	3-amino-2-pyridinecarbonitrile; 3-aminopyridine-2-carbonitrile

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Computed Properties

IUPAC Name:	3-aminopyridine-2-carbonitrile
Description:	3-Amino-2-pyridinecarbonitrile (CAS# 42242-11-5) is a useful research chemical.
Molecular Weight:	119.12
Molecular Formula:	C6H5N3
Canonical SMILES:	C1=CC(=C(N=C1)C#N)N
InChI:	InChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2
InChI Key:	KMHCTFSFWQRZTR-UHFFFAOYSA-N
Boiling Point:	368.2 °C at 760 mmHg
Density:	1.23 g/cm³
Appearance:	Solid
MDL:	MFCD02181031
LogP:	1.11668

Publication Number	Title	Priority Date
KR-20210002054-A	Aminocyanopyridine derivatives and its use	20190628
WO-2020263058-A1	Aminocyanopyridine derivative and use thereof	20190628
WO-2020256544-A1	Tetrazines for high click release speed and yield	20190617
WO-2020256545-A1	Agents for cleaving labels from biomolecules in vivo	20190617
WO-2020256546-A1	Compounds for fast and efficient click release	20190617

PMID	Publication Date	Title	Journal
20801555	20101101	Synthesis and molluscicidal evaluation of some new pyrazole, isoxazole, pyridine, pyrimidine, 1,4-thiazine and 1,3,4-thiadiazine derivatives incorporating benzofuran moiety	European journal of medicinal chemistry
15745802	20050315	Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.048347172
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	119.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8