6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid

C11H8F3NO2 — CID 83488076

IUPAC6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-5-2-3-6-7(4-5)15-9(11(12,13)14)8(6)10(16)17/h2-4,15H,1H3,(H,16,17)
InChIKeyVQXKHJMBJDFSOJ-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.19
Rot. Bonds1

About 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid

6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid (PubChem CID 83488076) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
PubChem CID83488076
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-5-2-3-6-7(4-5)15-9(11(12,13)14)8(6)10(16)17/h2-4,15H,1H3,(H,16,17)
InChIKeyVQXKHJMBJDFSOJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 174892182
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
7-methoxy-5-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 84641803
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84631846
6-O-ethyl 3-O-methyl 2-(trifluoromethyl)-1H-indole-3,6-dicarboxylate
CID 141445399
6-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-1H-indole-2-carboxylic acid
CID 71625868
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84641540
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid (CID 83488076) is 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid is Cc1ccc2c(C(=O)O)c(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The InChIKey is VQXKHJMBJDFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-5-2-3-6-7(4-5)15-9(11(12,13)14)8(6)10(16)17/h2-4,15H,1H3,(H,16,17).
What are the key properties of 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid has a molecular weight of 243.18 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 83488076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).