4-(4-Bromo-1-pyrazolyl)pyridine - CAS 1179072-77-5

Catalog:	BB004026
Product Name:	4-(4-Bromo-1-pyrazolyl)pyridine
CAS:	1179072-77-5
Synonyms:	4-(4-bromo-1-pyrazolyl)pyridine; 4-(4-bromopyrazol-1-yl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	4-(4-bromopyrazol-1-yl)pyridine
Description:	4-(4-Bromo-1-pyrazolyl)pyridine (CAS# 1179072-77-5) is a useful research chemical.
Molecular Weight:	224.06
Molecular Formula:	C8H6BrN3
Canonical SMILES:	C1=CN=CC=C1N2C=C(C=N2)Br
InChI:	InChI=1S/C8H6BrN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H
InChI Key:	OMMHWBMJGFPIOU-UHFFFAOYSA-N
LogP:	2.02980

Publication Number	Title	Priority Date
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
US-2015133422-A1	Novel 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use	20131108

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Complexity:	147
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5