6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

C17H8Br2F3NO2 — CID 5275531

IUPAC6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)nc2c(C(F)(F)F)cc(Br)cc12
InChIInChI=1S/C17H8Br2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25)
InChIKeyFBQTXJDDFXHOGW-UHFFFAOYSA-N
MW475.06 g/mol
LogP6.14
Rot. Bonds2

About 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 5275531) has the molecular formula C17H8Br2F3NO2 and a molecular weight of 475.06 g/mol. Its IUPAC name is 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID5275531
Molecular FormulaC17H8Br2F3NO2
Molecular Weight475.06 g/mol
Exact Mass472.89
IUPAC Name6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)nc2c(C(F)(F)F)cc(Br)cc12
InChIInChI=1S/C17H8Br2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25)
InChIKeyFBQTXJDDFXHOGW-UHFFFAOYSA-N
XLogP6.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.06
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 5275531) is 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)nc2c(C(F)(F)F)cc(Br)cc12.
What is the InChIKey of 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is FBQTXJDDFXHOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Br2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25).
What are the key properties of 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 475.06 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-bromophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 5275531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).