5-methoxy-1H-indole-2-carboxylic acid

C10H9NO3 — CID 20401

IUPAC5-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyYEBJVSLNUMZXRJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.87
Rot. Bonds2

About 5-methoxy-1H-indole-2-carboxylic acid

5-methoxy-1H-indole-2-carboxylic acid (PubChem CID 20401) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1H-indole-2-carboxylic acid
PubChem CID20401
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyYEBJVSLNUMZXRJ-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 5-methoxy-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 5-methoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 5-methoxy-1H-indole-2-carboxylic acid (CID 20401) is 5-methoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1H-indole-2-carboxylic acid is COc1ccc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-methoxy-1H-indole-2-carboxylic acid?
The InChIKey is YEBJVSLNUMZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13).
What are the key properties of 5-methoxy-1H-indole-2-carboxylic acid?
5-methoxy-1H-indole-2-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 5-methoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 20401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).