1-(2-Pyridinyl)cyclobutanecarbonitrile - CAS 485828-46-4

Catalog:	BB057958
Product Name:	1-(2-Pyridinyl)cyclobutanecarbonitrile
CAS:	485828-46-4
Synonyms:	1-(Pyridin-2-yl)cyclobutanecarbonitrile; 1-Pyridin-2-ylcyclobutanecarbonitrile; 1-pyridin-2-ylcyclobutane-1-carbonitrile; 1-(Pyridin-2-yl)cyclobutane-1-carbonitrile; 1-(2-Pyridinyl)-cyclobutanecarbonitrile

Technical Data

IUPAC Name:	1-pyridin-2-ylcyclobutane-1-carbonitrile
Description:	1-(2-Pyridinyl)cyclobutanecarbonitrile is an intermediate in the synthesis of pyrazolopyrimidine derivatives and analogs used in the treatment of autoimmune diseases.
Molecular Weight:	158.2
Molecular Formula:	C10H10N2
Canonical SMILES:	C1CC(C1)(C#N)C2=CC=CC=N2
InChI:	InChI=1S/C10H10N2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h1-2,4,7H,3,5-6H2
InChI Key:	ZIERJKUZAYDTGS-UHFFFAOYSA-N
References:	Nakahira, H., et al. From PCT Int. Appl. (2003), WO 2003004497 A1 20030116.

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.084398327
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4