4,6-Dichloropyridine-2-carbonitrile - CAS 40314-71-4

Catalog:	BB024445
Product Name:	4,6-Dichloropyridine-2-carbonitrile
CAS:	40314-71-4
Synonyms:	4,6-dichloro-2-pyridinecarbonitrile; 4,6-dichloropyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dichloropyridine-2-carbonitrile
Description:	4,6-Dichloropyridine-2-carbonitrile (CAS# 40314-71-4) is a useful research chemical.
Molecular Weight:	173.00
Molecular Formula:	C6H2Cl2N2
Canonical SMILES:	C1=C(C=C(N=C1Cl)C#N)Cl
InChI:	InChI=1S/C6H2Cl2N2/c7-4-1-5(3-9)10-6(8)2-4/h1-2H
InChI Key:	IYSMNJAHSIHMEK-UHFFFAOYSA-N
MDL:	MFCD22684690
LogP:	2.26008

Publication Number	Title	Priority Date
US-2019308950-A1	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
WO-2019193516-A2	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
EP-3774732-A2	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
JP-2021520381-A	Substituted pyridines and pyrimidines and their use as GLUN2B receptor regulators	20180404
US-11008302-B2	Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators	20180404

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.9595035
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.9595035
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8