8-Chloroquinoline-3-carboxylic acid - CAS 71082-54-7

Catalog:	BB034304
Product Name:	8-Chloroquinoline-3-carboxylic acid
CAS:	71082-54-7
Synonyms:	8-chloroquinoline-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-chloroquinoline-3-carboxylic acid
Description:	8-Chloroquinoline-3-carboxylic acid (CAS# 71082-54-7) is a useful research chemical.
Molecular Weight:	207.61
Molecular Formula:	C10H6ClNO2
Canonical SMILES:	C1=CC2=CC(=CN=C2C(=C1)Cl)C(=O)O
InChI:	InChI=1S/C10H6ClNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
InChI Key:	MKRMBCSRPJLONM-UHFFFAOYSA-N
Boiling Point:	382.1 °C at 760 mmHg
Density:	1.469 g/cm³
LogP:	2.58640

Publication Number	Title	Priority Date
AU-2006310367-A1	Triazole compounds as lipoxygenase inhibitors	20051031
BR-PI0618079-A2	compound or a pharmaceutically acceptable salt thereof, pharmaceutical formulation, use of a compound or a pharmaceutically acceptable salt thereof, method of treating a disease, combination product, and processes for preparing a compound of a pharmaceutical formulation, and a combination product	20051031
CA-2627516-A1	Triazole compounds as lipoxygenase inhibitors	20051031
CN-101300236-A	Triazole compounds as lipoxygenase inhibitors	20051031
EP-1943234-A1	Triazole compounds as lipoxygenase inhibitors	20051031

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Quinoline/Isoquinoline

[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[179943-57-8]
Ethyl 7-Bromo-4-hydroxy-3-quinolinecarboxylate
[134469-47-9]
Isoquinoline, 1-(chloromethyl)-3,4-dihydro-3,3-dimethyl-, hydrochloride
[525-61-1]
N1-(6-Methoxy-8-quinolyl)-1,4-pentanediamine
[15785-08-7]
2-Methyl-quinoline-3-carboxylic acid ethyl ester

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0087061
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3