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6-(3-Cyanophenyl)pyridine-2-carboxylic Acid

6-(3-Cyanophenyl)pyridine-2-carboxylic Acid - CAS 887981-96-6

Catalog:	BB039253
Product Name:	6-(3-Cyanophenyl)pyridine-2-carboxylic Acid
CAS:	887981-96-6
Synonyms:	6-(3-cyanophenyl)-2-pyridinecarboxylic acid; 6-(3-cyanophenyl)pyridine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	6-(3-cyanophenyl)pyridine-2-carboxylic acid
Description:	6-(3-Cyanophenyl)pyridine-2-carboxylic Acid (CAS# 887981-96-6) is a useful research chemical.
Molecular Weight:	224.21
Molecular Formula:	C13H8N2O2
Canonical SMILES:	C1=CC(=CC(=C1)C2=NC(=CC=C2)C(=O)O)C#N
InChI:	InChI=1S/C13H8N2O2/c14-8-9-3-1-4-10(7-9)11-5-2-6-12(15-11)13(16)17/h1-7H,(H,16,17)
InChI Key:	ZCOZAVSZIZHBRG-UHFFFAOYSA-N
LogP:	2.47820

Publication Number	Title	Priority Date
AU-2006223070-A1	Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors	20050314
AU-2006223070-B2	Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors	20050314
AU-2011244844-A1	Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors	20050314
BR-PI0608581-A2	Benzazole derivatives, compositions and methods of use as b-secretase inhibitors	20050314
CA-2600570-C	Benzazole derivatives, compositions, and methods of use as .beta.-secretase inhibitors	20050314

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.058577502
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	74
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1