2-Chloro-5-fluoropyridine-3-methanamine - CAS 870063-53-9

Catalog:	BB038166
Product Name:	2-Chloro-5-fluoropyridine-3-methanamine
CAS:	870063-53-9
Synonyms:	(2-chloro-5-fluoro-3-pyridinyl)methanamine; (2-chloro-5-fluoropyridin-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(2-chloro-5-fluoropyridin-3-yl)methanamine
Description:	2-Chloro-5-fluoropyridine-3-methanamine (CAS# 870063-53-9 ) is a useful research chemical.
Molecular Weight:	160.58
Molecular Formula:	C6H6ClFN2
Canonical SMILES:	C1=C(C(=NC=C1F)Cl)CN
InChI:	InChI=1S/C6H6ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H,2,9H2
InChI Key:	ZVHCOUATUMIIIL-UHFFFAOYSA-N
LogP:	1.98880

Publication Number	Title	Priority Date
EP-1747206-A1	Amino-tetrazoles analogues and methods of use	20040429
US-2006052374-A1	Amino-tetrazole analogues and methods of use	20040429
US-2007049584-A1	Amino-tetrazoles analogues and methods of use	20040429
US-2008171733-A1	Amino-Tetrazoles Analogues and Methods of Use	20040429
US-2012329772-A1	Amino-tetrazoles analogues and methods of use	20040429

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Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0203541
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.0203541
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8