6-bromo-2-pyridinemethanamine - CAS 188637-63-0

Catalog:	BB014533
Product Name:	6-bromo-2-pyridinemethanamine
CAS:	188637-63-0
Synonyms:	(6-bromo-2-pyridinyl)methanamine; (6-bromopyridin-2-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(6-bromopyridin-2-yl)methanamine
Description:	6-bromo-2-pyridinemethanamine (CAS# 188637-63-0) is a useful research chemical.
Molecular Weight:	187.04
Molecular Formula:	C6H7BrN2
Canonical SMILES:	C1=CC(=NC(=C1)Br)CN
InChI:	InChI=1S/C6H7BrN2/c7-6-3-1-2-5(4-8)9-6/h1-3H,4,8H2
InChI Key:	WNUXZPQIGBMHSI-UHFFFAOYSA-N
Boiling Point:	266.853 °C at 760 mmHg
Purity:	98 %
Density:	1.574 g/cm³
Appearance:	Solid
LogP:	2.00310

Publication Number	Title	Priority Date
TW-202010742-A	Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors	20180406
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
AU-2019247471-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
EP-3687506-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

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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:	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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8