6-Fluoroquinoline-3-carboxylic acid - CAS 116293-90-4

Catalog:	BB003735
Product Name:	6-Fluoroquinoline-3-carboxylic acid
CAS:	116293-90-4
Synonyms:	3-Quinolinecarboxylic acid, 6-fluoro-; 6-Fluoro-3-quinolinecarboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-fluoroquinoline-3-carboxylic acid
Molecular Weight:	191.16
Molecular Formula:	C10H6FNO2
Canonical SMILES:	C1=CC2=NC=C(C=C2C=C1F)C(=O)O
InChI:	InChI=1S/C10H6FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChI Key:	WZTBLZIAYMSIOJ-UHFFFAOYSA-N
Boiling Point:	352.1±27.0°C at 760 mmHg
Purity:	≥95%
Density:	1.431±0.06 g/cm3
Appearance:	Dark Grey Powder
Storage:	Store at RT
LogP:	2.07210

Publication Number	Title	Priority Date
AU-2017335674-A1	P2X3 and/or P2X2/3 compounds and methods	20160930
CA-3037748-A1	P2x3 and/or p2x2/3 compounds and methods	20160930
EP-3528813-A1	P2x3 and/or p2x2/3 compounds and methods	20160930
KR-20190053963-A	P2X3 and / or P2X2 / 3 compounds and methods	20160930
TW-201827432-A	P2Xî,µ and/or P2Xî,´/î,µ compounds and methods	20160930

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

Quinoline/Isoquinoline

[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[19490-87-0]
7-Methoxy-2-methylquinoline
[50741-46-3]
Ethyl 3-quinolinecarboxylate

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
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:	191.03825660
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.03825660
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8