3-(Aminomethyl)-5-bromo-2-pyridinamine - CAS 1335057-71-0

Catalog:	BB007769
Product Name:	3-(Aminomethyl)-5-bromo-2-pyridinamine
CAS:	1335057-71-0
Synonyms:	3-(aminomethyl)-5-bromo-2-pyridinamine; 3-(aminomethyl)-5-bromopyridin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(aminomethyl)-5-bromopyridin-2-amine
Description:	3-(Aminomethyl)-5-bromo-2-pyridinamine (CAS# 1335057-71-0) is a useful research chemical.
Molecular Weight:	202.05
Molecular Formula:	C6H8BrN3
Canonical SMILES:	C1=C(C(=NC=C1Br)N)CN
InChI:	InChI=1S/C6H8BrN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2,8H2,(H2,9,10)
InChI Key:	DQWDOHYXWCRROX-UHFFFAOYSA-N
LogP:	2.16650

Publication Number	Title	Priority Date
WO-2021053495-A1	Bifunctional degraders and their methods of use	20190916
US-2015368241-A1	Inhibitors of hemeprotein-catalyzed lipid peroxidation	20130205
US-9545385-B2	Inhibitors of hemeprotein-catalyzed lipid peroxidation	20130205
WO-2014124059-A2	Inhibitors of hemeprotein-catalyzed lipid peroxidation	20130205
WO-2013080222-A1	Substituted pyridine derivatives as fabi inhibitors	20111202

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.99016
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6