1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile - CAS 1196151-62-8

Catalog:	BB004540
Product Name:	1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile
CAS:	1196151-62-8
Synonyms:	1H-pyrrolo[3,2-b]pyridine-3-carbonitrile; 1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
Description:	1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile (CAS# 1196151-62-8 ) is a useful research chemical.
Molecular Weight:	143.15
Molecular Formula:	C8H5N3
Canonical SMILES:	C1=CC2=C(C(=CN2)C#N)N=C1
InChI:	InChI=1S/C8H5N3/c9-4-6-5-11-7-2-1-3-10-8(6)7/h1-3,5,11H
InChI Key:	XURZLRKJXZOAGB-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.43458

Publication Number	Title	Priority Date
CN-110022875-A	Therapeutic inhibiting compound	20160711
KR-20180134999-A	Substituted bicyclic heterocyclic compounds	20160420
CN-105308040-B	1,3- diamino cyclopentane formamide derivative	20130621
AU-2012245996-A1	Pyrazolospiroketone derivatives for use as acetyl-CoA carboxylase inhibitors	20110422
ES-2561452-T3	Pyrazoloespirocetone derivatives for use as acetyl-CoA carboxylase inhibitors	20110422

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.048347172
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8