4-Bromo-2-pyridinemethanamine - CAS 865156-50-9

Catalog:	BB037969
Product Name:	4-Bromo-2-pyridinemethanamine
CAS:	865156-50-9
Synonyms:	(4-bromo-2-pyridinyl)methanamine; (4-bromopyridin-2-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-bromopyridin-2-yl)methanamine
Description:	4-Bromo-2-pyridinemethanamine (CAS# 865156-50-9) is a useful research chemical.
Molecular Weight:	187.04
Molecular Formula:	C6H7BrN2
Canonical SMILES:	C1=CN=C(C=C1Br)CN
InChI:	InChI=1S/C6H7BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2
InChI Key:	ZIIMDWQEXYZSMZ-UHFFFAOYSA-N
Boiling Point:	262.846 °C at 760 mmHg
Density:	1.574 g/cm³
Appearance:	Liquid
MDL:	MFCD07374903
LogP:	2.00310

Publication Number	Title	Priority Date
WO-2021155320-A1	Compounds and uses thereof	20200129
WO-2021053495-A1	Bifunctional degraders and their methods of use	20190916
WO-2020160180-A1	Compounds and uses thereof	20190129
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
US-2019284182-A1	Inhibitors of plasma kallikrein and uses thereof	20180313

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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:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.97926
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.97926
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4