3-bromo-1H-indazole-5-carbonitrile - CAS 395101-67-4

Catalog:	BB024003
Product Name:	3-bromo-1H-indazole-5-carbonitrile
CAS:	395101-67-4
Synonyms:	3-bromo-2H-indazole-5-carbonitrile; 3-bromo-2H-indazole-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-2H-indazole-5-carbonitrile
Description:	3-bromo-1H-indazole-5-carbonitrile (CAS# 395101-67-4) is a useful research chemical.
Molecular Weight:	222.045
Molecular Formula:	C8H4BrN3
Canonical SMILES:	C1=CC2=NNC(=C2C=C1C#N)Br
InChI:	InChI=1S/C8H4BrN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12)
InChI Key:	WVHZCDQLDZQYPH-UHFFFAOYSA-N
Boiling Point:	425.268 °C at 760 mmHg
Density:	1.852 g/cm³
MDL:	MFCD09263218
LogP:	2.19708

Publication Number	Title	Priority Date
AU-2015330506-A1	EGFR inhibitor, and preparation and application thereof	20141011
CA-2959194-A1	Egfr inhibitor, and preparation and application thereof	20141011
CN-106661000-B	EGFR inhibitor and its preparation and application	20141011
CN-111170999-A	EGFR inhibitor and preparation and application thereof	20141011
CN-111171000-A	EGFR inhibitor and preparation and application thereof	20141011

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Related Functional Groups

Indazoles

[938022-22-1]
3-(Difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[290368-00-2]
1-Boc-3-iodo-1H-indazole
[885520-77-4]
4-Methyl-6-nitro-1H-indazole

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.95886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3