5-Bromo-1H-imidazo[4,5-b]pyridine - CAS 28279-52-9

Name: 5-Bromo-1H-imidazo[4,5-b]pyridine
Brand: BOC Sciences
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Catalog:	BB019798
Product Name:	5-Bromo-1H-imidazo[4,5-b]pyridine
CAS:	28279-52-9
Synonyms:	5-bromo-1H-imidazo[4,5-b]pyridine; 5-bromo-1H-imidazo[4,5-b]pyridine

Technical Data

IUPAC Name:	5-bromo-1H-imidazo[4,5-b]pyridine
Description:	5-Bromo-1H-imidazo[4,5-b]pyridine (CAS# 28279-52-9) is a heterocyclic organic reagent used in the preparations of biologically active agents. Used in the synthesis of prolyl-tRNA synthetase inhibitors in the treatment of inflammatory diseases.
Molecular Weight:	198.02
Molecular Formula:	C6H4BrN3
Canonical SMILES:	C1=CC(=NC2=C1NC=N2)Br
InChI:	InChI=1S/C6H4BrN3/c7-5-2-1-4-6(10-5)9-3-8-4/h1-3H,(H,8,9,10)
InChI Key:	INKJIWXVLWIENL-UHFFFAOYSA-N
Boiling Point:	280 °C
Density:	2 g/cm³
Appearance:	Solid
LogP:	1.72040

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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.95886
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8