6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid

C16H8BrF2NO3 — CID 14498199

IUPAC6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(F)cc2F)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrF2NO3/c17-7-1-4-12-10(5-7)13(16(22)23)15(21)14(20-12)9-3-2-8(18)6-11(9)19/h1-6,21H,(H,22,23)
InChIKeyFUMQOYHNMNUXSW-UHFFFAOYSA-N
MW380.14 g/mol
LogP4.35
Rot. Bonds2

About 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid

6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid (PubChem CID 14498199) has the molecular formula C16H8BrF2NO3 and a molecular weight of 380.14 g/mol. Its IUPAC name is 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid
PubChem CID14498199
Molecular FormulaC16H8BrF2NO3
Molecular Weight380.14 g/mol
Exact Mass378.97
IUPAC Name6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(F)cc2F)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrF2NO3/c17-7-1-4-12-10(5-7)13(16(22)23)15(21)14(20-12)9-3-2-8(18)6-11(9)19/h1-6,21H,(H,22,23)
InChIKeyFUMQOYHNMNUXSW-UHFFFAOYSA-N
XLogP4.35
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid (CID 14498199) is 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(F)cc2F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The InChIKey is FUMQOYHNMNUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF2NO3/c17-7-1-4-12-10(5-7)13(16(22)23)15(21)14(20-12)9-3-2-8(18)6-11(9)19/h1-6,21H,(H,22,23).
What are the key properties of 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid has a molecular weight of 380.14 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-difluorophenyl)-3-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 14498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).