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

C11H4BrF4NO2 — CID 84820533

IUPAC4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c(Br)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H4BrF4NO2/c12-7-3-8(11(14,15)16)17-9-5(7)1-4(13)2-6(9)10(18)19/h1-3H,(H,18,19)
InChIKeyIBTYSQUOMGZWGL-UHFFFAOYSA-N
MW338.05 g/mol
LogP3.85
Rot. Bonds1

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

4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid (PubChem CID 84820533) has the molecular formula C11H4BrF4NO2 and a molecular weight of 338.05 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
PubChem CID84820533
Molecular FormulaC11H4BrF4NO2
Molecular Weight338.05 g/mol
Exact Mass336.94
IUPAC Name4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c(Br)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H4BrF4NO2/c12-7-3-8(11(14,15)16)17-9-5(7)1-4(13)2-6(9)10(18)19/h1-3H,(H,18,19)
InChIKeyIBTYSQUOMGZWGL-UHFFFAOYSA-N
XLogP3.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.05
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
CID 150908272
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176
6-fluoro-1,3-benzothiazole-4-carboxylic acid
CID 67467360
2-bromo-4-(trifluoromethyl)quinoline-8-carboxylic acid
CID 11120769
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
methyl 8-bromo-2-(trifluoromethyl)quinoline-4-carboxylate
CID 10892971
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid?
The IUPAC name of 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid (CID 84820533) is 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid.
What is the SMILES notation for 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid?
The canonical SMILES for 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid is O=C(O)c1cc(F)cc2c(Br)cc(C(F)(F)F)nc12.
What is the InChIKey of 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid?
The InChIKey is IBTYSQUOMGZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF4NO2/c12-7-3-8(11(14,15)16)17-9-5(7)1-4(13)2-6(9)10(18)19/h1-3H,(H,18,19).
What are the key properties of 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid?
4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid has a molecular weight of 338.05 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid is sourced from PubChem (CID 84820533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).