5,6-Dimethylnicotinonitrile - CAS 113124-09-7

Catalog:	BB003110
Product Name:	5,6-Dimethylnicotinonitrile
CAS:	113124-09-7
Synonyms:	5,6-dimethyl-3-pyridinecarbonitrile; 5,6-dimethylpyridine-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5,6-dimethylpyridine-3-carbonitrile
Description:	5,6-Dimethylnicotinonitrile (CAS# 113124-09-7) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=C(N=CC(=C1)C#N)C
InChI:	InChI=1S/C8H8N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,1-2H3
InChI Key:	WKGURDJVSXADDE-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.57008

Publication Number	Title	Priority Date
WO-2019217957-A1	Quinoline compounds and their preparation and use as antimalarial agents	20180511
WO-2019154665-A1	New pyridine carboxamides	20180207
WO-2019023278-A1	MODULATORS OF SOMATOSTATIN AND USES THEREOF	20170725
BR-112019014061-A2	compounds of formula i, intermediates b, intermediates c, intermediates ii and intermediates d, composition, use, method to combat phytopathogenic fungi, seed and process for the synthesis of the compounds of formula i	20170123
EP-3571190-A1	Fungicidal pyridine compounds	20170123

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Nitrogen Compounds

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1-(Chloromethyl)-3-nitro-1H-pyrazole
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[618-40-6]
1-Methyl-1-phenylhydrazine

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Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3