2-(4-Bromo-1H-pyrazol-1-yl)pyridine - CAS 77556-27-5

Catalog:	BB035990
Product Name:	2-(4-Bromo-1H-pyrazol-1-yl)pyridine
CAS:	77556-27-5
Synonyms:	2-(4-bromo-1-pyrazolyl)pyridine; 2-(4-bromopyrazol-1-yl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromopyrazol-1-yl)pyridine
Description:	2-(4-Bromo-1H-pyrazol-1-yl)pyridine (CAS# 77556-27-5) is a useful research chemical.
Molecular Weight:	224.06
Molecular Formula:	C8H6BrN3
Canonical SMILES:	C1=CC=NC(=C1)N2C=C(C=N2)Br
InChI:	InChI=1S/C8H6BrN3/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H
InChI Key:	FQTMKCJYDXTYMK-UHFFFAOYSA-N
Boiling Point:	325.2 °C at 760 mmHg
Density:	1.63 g/cm³
LogP:	2.02980

Publication Number	Title	Priority Date
WO-2016000615-A1	Heteroaryl compounds and pharmaceutical applications thereof	20140702
CA-2929650-A1	4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use	20131108
CA-2929650-C	4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use	20131108
EP-3066090-A1	4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use	20131108
JP-2016535097-A	4- (Indol-3-yl) -pyrazole derivatives, pharmaceutical compositions and methods for use	20131108

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.97451
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.97451
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8