7-methoxy-1H-indole-3-carboxylic acid

C10H9NO3 — CID 15067967

IUPAC7-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c[nH]c12
InChIInChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)
InChIKeyMSALXMDIYCKASR-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.87
Rot. Bonds2

About 7-methoxy-1H-indole-3-carboxylic acid

7-methoxy-1H-indole-3-carboxylic acid (PubChem CID 15067967) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-methoxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1H-indole-3-carboxylic acid
PubChem CID15067967
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name7-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c[nH]c12
InChIInChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)
InChIKeyMSALXMDIYCKASR-UHFFFAOYSA-N
XLogP1.87
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-1H-indole-3-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 7-methoxy-1H-indole-3-carboxylic acid?
The IUPAC name of 7-methoxy-1H-indole-3-carboxylic acid (CID 15067967) is 7-methoxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-methoxy-1H-indole-3-carboxylic acid is COc1cccc2c(C(=O)O)c[nH]c12.
What is the InChIKey of 7-methoxy-1H-indole-3-carboxylic acid?
The InChIKey is MSALXMDIYCKASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13).
What are the key properties of 7-methoxy-1H-indole-3-carboxylic acid?
7-methoxy-1H-indole-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 15067967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).