6-(Chloromethyl)pyridine-2-carbonitrile - CAS 135450-23-6

Catalog:	BB008176
Product Name:	6-(Chloromethyl)pyridine-2-carbonitrile
CAS:	135450-23-6
Synonyms:	6-(chloromethyl)-2-pyridinecarbonitrile; 6-(chloromethyl)pyridine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	6-(chloromethyl)pyridine-2-carbonitrile
Description:	6-(Chloromethyl)pyridine-2-carbonitrile (CAS# 135450-23-6) is used in the preparation of thiazole derivatives as antiulcer and antimicrobial agents.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC(=NC(=C1)CCl)C#N
InChI:	InChI=1S/C7H5ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2
InChI Key:	NZOOXGNGNZWVQR-UHFFFAOYSA-N
Boiling Point:	280.766 °C at 760 mmHg
Density:	1.264 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.69208

Publication Number	Title	Priority Date
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
CN-112028870-A	Compound with benzyloxy aromatic ring structure, preparation method and application thereof	20190604
WO-2020244518-A1	Compound with benzyloxy aromatic ring structure, preparation method and use thereof	20190604
WO-2020210597-A1	Benzimidazole derivatives and their uses	20190411
AU-2018379077-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9