6-Chloro-7-azaindole-3-carboxylic Acid - CAS 915140-96-4

Catalog:	BB040226
Product Name:	6-Chloro-7-azaindole-3-carboxylic Acid
CAS:	915140-96-4
Synonyms:	6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid; 6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Description:	6-Chloro-7-azaindole-3-carboxylic Acid (CAS# 915140-96-4 ) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=CC(=NC2=C1C(=CN2)C(=O)O)Cl
InChI:	InChI=1S/C8H5ClN2O2/c9-6-2-1-4-5(8(12)13)3-10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChI Key:	NPXFUIWZQKUEQK-UHFFFAOYSA-N
Density:	1.566 g/cm³
LogP:	1.84340

Publication Number	Title	Priority Date
CN-105777756-A	Heteroaryl compound and application thereof in medicines	20140702
WO-2011050245-A1	Bicyclic heteroaryls as kinase inhibitors	20091023
AU-2006248825-A1	Fluorene derivatives, composition containing said derivatives and the use thereof	20050519
AU-2006248825-B2	Fluorene derivatives, composition containing said derivatives and the use thereof	20050519
BR-PI0611424-A2	fluorene derivatives, medicines and compositions containing them and their use	20050519

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0039551
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8