6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid

C11H5BrF3NO3 — CID 168916581

IUPAC6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C11H5BrF3NO3/c12-4-1-2-6-5(3-4)7(10(18)19)8(17)9(16-6)11(13,14)15/h1-3,17H,(H,18,19)
InChIKeyDGCRQGFXVVPCGA-UHFFFAOYSA-N
MW336.06 g/mol
LogP3.42
Rot. Bonds1

About 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid

6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 168916581) has the molecular formula C11H5BrF3NO3 and a molecular weight of 336.06 g/mol. Its IUPAC name is 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID168916581
Molecular FormulaC11H5BrF3NO3
Molecular Weight336.06 g/mol
Exact Mass334.94
IUPAC Name6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C11H5BrF3NO3/c12-4-1-2-6-5(3-4)7(10(18)19)8(17)9(16-6)11(13,14)15/h1-3,17H,(H,18,19)
InChIKeyDGCRQGFXVVPCGA-UHFFFAOYSA-N
XLogP3.42
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.06
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid (CID 168916581) is 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1c(O)c(C(F)(F)F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is DGCRQGFXVVPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO3/c12-4-1-2-6-5(3-4)7(10(18)19)8(17)9(16-6)11(13,14)15/h1-3,17H,(H,18,19).
What are the key properties of 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid?
6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 336.06 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-hydroxy-2-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 168916581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).