3-(Aminomethyl)-5-chloropyridine - CAS 138402-36-5

Catalog:	BB008748
Product Name:	3-(Aminomethyl)-5-chloropyridine
CAS:	138402-36-5
Synonyms:	(5-chloro-3-pyridinyl)methanamine; (5-chloropyridin-3-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-chloropyridin-3-yl)methanamine
Description:	3-(Aminomethyl)-5-chloropyridine (CAS# 138402-36-5) is a useful research chemical.
Molecular Weight:	142.59
Molecular Formula:	C6H7ClN2
Canonical SMILES:	C1=C(C=NC=C1Cl)CN
InChI:	InChI=1S/C6H7ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChI Key:	PYJXHOFNDOAAPO-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.89400

Publication Number	Title	Priority Date
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
CA-3073915-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20170831
WO-2019046784-A1	COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE	20170831
EP-3675856-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20170831
JP-2020532541-A	Compounds and methods for regulating adenosine A2B and adenosine A2A receptors	20170831

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Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0297759
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.0297759
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3