7H-indole-6-carboxylic acid

C9H7NO2 — CID 142541303

IUPAC7H-indole-6-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CN=C2C1
InChIInChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2,(H,11,12)
InChIKeyZDZJVBPWMNUVCN-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.30
Rot. Bonds1

About 7H-indole-6-carboxylic acid

7H-indole-6-carboxylic acid (PubChem CID 142541303) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 7H-indole-6-carboxylic acid.

Molecular Properties

Compound Name7H-indole-6-carboxylic acid
PubChem CID142541303
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name7H-indole-6-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CN=C2C1
InChIInChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2,(H,11,12)
InChIKeyZDZJVBPWMNUVCN-UHFFFAOYSA-N
XLogP1.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7H-indole-6-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 7H-indole-6-carboxylic acid?
The IUPAC name of 7H-indole-6-carboxylic acid (CID 142541303) is 7H-indole-6-carboxylic acid.
What is the SMILES notation for 7H-indole-6-carboxylic acid?
The canonical SMILES for 7H-indole-6-carboxylic acid is O=C(O)C1=CC=C2C=CN=C2C1.
What is the InChIKey of 7H-indole-6-carboxylic acid?
The InChIKey is ZDZJVBPWMNUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2,(H,11,12).
What are the key properties of 7H-indole-6-carboxylic acid?
7H-indole-6-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-indole-6-carboxylic acid is sourced from PubChem (CID 142541303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).