6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

C11H8F3NO3 — CID 22508913

IUPAC6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESCOc1cc(C(F)(F)F)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H8F3NO3/c1-18-5-2-7(11(12,13)14)6-4-9(10(16)17)15-8(6)3-5/h2-4,15H,1H3,(H,16,17)
InChIKeyWOGXXTAYYQJTGF-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.89
Rot. Bonds2

About 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 22508913) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
PubChem CID22508913
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESCOc1cc(C(F)(F)F)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H8F3NO3/c1-18-5-2-7(11(12,13)14)6-4-9(10(16)17)15-8(6)3-5/h2-4,15H,1H3,(H,16,17)
InChIKeyWOGXXTAYYQJTGF-UHFFFAOYSA-N
XLogP2.89
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
CID 162659106
4,6-diethoxy-1H-indole-2-carboxylic acid
CID 7141872
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
ethyl 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117493187

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 22508913) is 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is COc1cc(C(F)(F)F)c2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The InChIKey is WOGXXTAYYQJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c1-18-5-2-7(11(12,13)14)6-4-9(10(16)17)15-8(6)3-5/h2-4,15H,1H3,(H,16,17).
What are the key properties of 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 259.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22508913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).