6-Chloroquinoline-3-carboxylic acid - CAS 118791-14-3

Catalog:	BB004268
Product Name:	6-Chloroquinoline-3-carboxylic acid
CAS:	118791-14-3
Synonyms:	6-chloroquinoline-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloroquinoline-3-carboxylic acid
Description:	6-Chloroquinoline-3-carboxylic acid (CAS# 118791-14-3 ) is a useful research chemical.
Molecular Weight:	207.61
Molecular Formula:	C10H6ClNO2
Canonical SMILES:	C1=CC2=NC=C(C=C2C=C1Cl)C(=O)O
InChI:	InChI=1S/C10H6ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChI Key:	UYQIRJWFRMCAID-UHFFFAOYSA-N
Boiling Point:	382.122 °C at 760 mmHg
Density:	1.47 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.58640

Publication Number	Title	Priority Date
AU-2018311976-A1	Inhibitors of Plasma Kallikrein and uses thereof	20170804
CA-3070717-A1	Inhibitors of plasma kallikrein and uses thereof	20170804
EP-3661922-A1	Inhibitors of plasma kallikrein and uses thereof	20170804
WO-2019028362-A1	INHIBITORS OF PLASMATIC KALLIKREIN AND USES THEREOF	20170804
JP-2020529998-A	Inhibitors of plasma kallikrein and their use	20170804

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[36034-54-5]
4-Methoxyisoquinoline
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3