7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

C10H5BrF3NO2 — CID 125457533

IUPAC7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccc(Br)c2[nH]1
InChIInChI=1S/C10H5BrF3NO2/c11-6-2-1-5(10(12,13)14)4-3-7(9(16)17)15-8(4)6/h1-3,15H,(H,16,17)
InChIKeyOOBFRGOGUJNKLS-UHFFFAOYSA-N
MW308.05 g/mol
LogP3.65
Rot. Bonds1

About 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 125457533) has the molecular formula C10H5BrF3NO2 and a molecular weight of 308.05 g/mol. Its IUPAC name is 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
PubChem CID125457533
Molecular FormulaC10H5BrF3NO2
Molecular Weight308.05 g/mol
Exact Mass306.95
IUPAC Name7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccc(Br)c2[nH]1
InChIInChI=1S/C10H5BrF3NO2/c11-6-2-1-5(10(12,13)14)4-3-7(9(16)17)15-8(4)6/h1-3,15H,(H,16,17)
InChIKeyOOBFRGOGUJNKLS-UHFFFAOYSA-N
XLogP3.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.05
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 135004712
8-bromo-5-(trifluoromethyl)-1H-quinolin-2-one
CID 169499706
CID 146840166
CID 146840166
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 82386002
5-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457754
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 10171656
4-[4-carboxy-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzoic acid
CID 59002552
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913
8-bromo-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517726
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
4-amino-7-fluoro-1H-indole-2-carboxylic acid
CID 82401505

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 125457533) is 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)ccc(Br)c2[nH]1.
What is the InChIKey of 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The InChIKey is OOBFRGOGUJNKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO2/c11-6-2-1-5(10(12,13)14)4-3-7(9(16)17)15-8(4)6/h1-3,15H,(H,16,17).
What are the key properties of 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 308.05 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 125457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).