6-Cyanopyridine-3-carboxylic acid - CAS 70165-31-0

Name: 6-Cyanopyridine-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034087
Product Name:	6-Cyanopyridine-3-carboxylic acid
CAS:	70165-31-0
Synonyms:	6-cyanopyridine-3-carboxylic acid

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Computed Properties

IUPAC Name:	6-cyanopyridine-3-carboxylic acid
Description:	6-Cyanopyridine-3-carboxylic acid (CAS# 70165-31-0) is a useful research chemical.
Molecular Weight:	148.12
Molecular Formula:	C7H4N2O2
Canonical SMILES:	C1=CC(=NC=C1C(=O)O)C#N
InChI:	InChI=1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11)
InChI Key:	WMHSQCDPPJRWIL-UHFFFAOYSA-N
Boiling Point:	395.9 °C at 760 mmHg
Density:	1.42 g/cm³
Appearance:	Solid
MDL:	MFCD01318135
LogP:	0.65148

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[2241983-13-9]C24H26NOD
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D
[938459-11-1]C8H13N3
N-Pyridin-3-ylpropane-1,3-diamine

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

Publication Number	Title	Priority Date
CN-111393447-A	Pyrimidopyrazole compound, and preparation method and application thereof	20200514
CN-111393447-B	Pyrimidopyrazole compound, and preparation method and application thereof	20200514
CN-111393415-A	Heteroaromatic nitrile compound and application thereof	20200430
CN-111393415-B	Heteroaromatic nitrile compound and application thereof	20200430
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819

PMID	Publication Date	Title	Journal
21582366	20090325	Bis[μ-5-(5-carboxyl-ato-3-pyrid-yl)tetra-zolato-κN,N:N]bis-[triaqua-zinc(II)]	Acta crystallographica. Section E, Structure reports online
21582330	20090311	Diaqua-bis[5-(5-carboxy-2-pyridyl)tetra-zolato-κN,N]cadmium(II) dihydrate	Acta crystallographica. Section E, Structure reports online

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.027277375
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	74 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4