3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid

C17H12N2O2 — CID 129207912

IUPAC3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3ccccc3C#N)c(C(=O)O)[nH]c12
InChIInChI=1S/C17H12N2O2/c1-10-5-4-8-13-14(16(17(20)21)19-15(10)13)12-7-3-2-6-11(12)9-18/h2-8,19H,1H3,(H,20,21)
InChIKeyRUUMXPHYRMPMCD-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.71
Rot. Bonds2

About 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid

3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid (PubChem CID 129207912) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid
PubChem CID129207912
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3ccccc3C#N)c(C(=O)O)[nH]c12
InChIInChI=1S/C17H12N2O2/c1-10-5-4-8-13-14(16(17(20)21)19-15(10)13)12-7-3-2-6-11(12)9-18/h2-8,19H,1H3,(H,20,21)
InChIKeyRUUMXPHYRMPMCD-UHFFFAOYSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-cyanophenyl)-7-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid (CID 129207912) is 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid is Cc1cccc2c(-c3ccccc3C#N)c(C(=O)O)[nH]c12.
What is the InChIKey of 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid?
The InChIKey is RUUMXPHYRMPMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-10-5-4-8-13-14(16(17(20)21)19-15(10)13)12-7-3-2-6-11(12)9-18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid?
3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-7-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 129207912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).