1-(3-Chloropyridin-4-yl)ethan-1-amine - CAS 1149588-22-6

Catalog:	BB070473
Product Name:	1-(3-Chloropyridin-4-yl)ethan-1-amine
CAS:	1149588-22-6
Synonyms:	1-(3-chloropyridin-4-yl)ethan-1-amine; 1-(3-Chloropyridin-4-yl)ethanamine; 1-(3-CHLORO-4-PYRIDYL)ETHYLAMINE

Technical Data

IUPAC Name:	1-(3-chloropyridin-4-yl)ethanamine
Description:	1-(3-Chloropyridin-4-yl)ethan-1-amine (CAS# 1149588-22-6) is an intermediate in preparation of pyridazinone derivatives used as P2X7 receptor inhibitors; useful in the treatment of rheumatoid arthritis (ref 1) and also in preparation of N-biphenylmethylindole modulators of PPARG for treatment of osteoporosis (ref 2).
Molecular Weight:	156.62
Molecular Formula:	C7H9ClN2
Canonical SMILES:	CC(C1=C(C=NC=C1)Cl)N
InChI:	InChI=1S/C7H9ClN2/c1-5(9)6-2-3-10-4-7(6)8/h2-5H,9H2,1H3
InChI Key:	RKPIAZZODCNIEH-UHFFFAOYSA-N
References:	1) WO 2009057827; 20092) US 20120309757; 2012.

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.045426
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.045426
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7