2,3-Dimethyl-4-pyridinecarbonitrile - CAS 131895-50-6

Name: 2,3-Dimethyl-4-pyridinecarbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB066919
Product Name:	2,3-Dimethyl-4-pyridinecarbonitrile
CAS:	131895-50-6
Synonyms:	2,3-Dimethylisonicotinonitrile

Technical Data

IUPAC Name:	2,3-dimethylpyridine-4-carbonitrile
Description:	2,3-Dimethyl-4-pyridinecarbonitrile is an intermediate used to prepare subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors. It is also used in the synthesis of pyridylmethylsulfonamides as fungicides.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=C(C=CN=C1C)C#N
InChI:	InChI=1S/C8H8N2/c1-6-7(2)10-4-3-8(6)5-9/h3-4H,1-2H3
InChI Key:	QBCBKMUZABMXJU-UHFFFAOYSA-N
References:	Nguyen, P., et al. PCT Int. Appl., WO 2010091209 A1 20100812 (2010); Grammenos, W., et al. PCT Int. Appl., WO 2009071448 A1 20090611 (2009).

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:	36.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3