6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid

C11H5ClF3NO3 — CID 129247533

IUPAC6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)c(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C11H5ClF3NO3/c12-6-2-4-1-5(10(17)18)3-16-8(4)7(13)9(6)19-11(14)15/h1-3,11H,(H,17,18)
InChIKeyDFGFFUYCKDYLIN-UHFFFAOYSA-N
MW291.61 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid

6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid (PubChem CID 129247533) has the molecular formula C11H5ClF3NO3 and a molecular weight of 291.61 g/mol. Its IUPAC name is 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid
PubChem CID129247533
Molecular FormulaC11H5ClF3NO3
Molecular Weight291.61 g/mol
Exact Mass290.99
IUPAC Name6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)c(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C11H5ClF3NO3/c12-6-2-4-1-5(10(17)18)3-16-8(4)7(13)9(6)19-11(14)15/h1-3,11H,(H,17,18)
InChIKeyDFGFFUYCKDYLIN-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
CID 129247510
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841
6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
CID 145333231
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
quinoline-3,5,6,7,8-pentacarboxylic acid
CID 22158723
6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
CID 129247514
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid (CID 129247533) is 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid is O=C(O)c1cnc2c(F)c(OC(F)F)c(Cl)cc2c1.
What is the InChIKey of 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid?
The InChIKey is DFGFFUYCKDYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO3/c12-6-2-4-1-5(10(17)18)3-16-8(4)7(13)9(6)19-11(14)15/h1-3,11H,(H,17,18).
What are the key properties of 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid?
6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid has a molecular weight of 291.61 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 129247533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).