2,3-dimethyl-1H-indole-6-carboxylic acid

C11H11NO2 — CID 2772885

IUPAC2,3-dimethyl-1H-indole-6-carboxylic acid
SMILESCc1[nH]c2cc(C(=O)O)ccc2c1C
InChIInChI=1S/C11H11NO2/c1-6-7(2)12-10-5-8(11(13)14)3-4-9(6)10/h3-5,12H,1-2H3,(H,13,14)
InChIKeyUDPOIMGOHQYJEE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.48
Rot. Bonds1

About 2,3-dimethyl-1H-indole-6-carboxylic acid

2,3-dimethyl-1H-indole-6-carboxylic acid (PubChem CID 2772885) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole-6-carboxylic acid
PubChem CID2772885
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2,3-dimethyl-1H-indole-6-carboxylic acid
SMILESCc1[nH]c2cc(C(=O)O)ccc2c1C
InChIInChI=1S/C11H11NO2/c1-6-7(2)12-10-5-8(11(13)14)3-4-9(6)10/h3-5,12H,1-2H3,(H,13,14)
InChIKeyUDPOIMGOHQYJEE-UHFFFAOYSA-N
XLogP2.48
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-1H-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 2,3-dimethyl-1H-indole-6-carboxylic acid?
The IUPAC name of 2,3-dimethyl-1H-indole-6-carboxylic acid (CID 2772885) is 2,3-dimethyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-1H-indole-6-carboxylic acid is Cc1[nH]c2cc(C(=O)O)ccc2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole-6-carboxylic acid?
The InChIKey is UDPOIMGOHQYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-7(2)12-10-5-8(11(13)14)3-4-9(6)10/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 2,3-dimethyl-1H-indole-6-carboxylic acid?
2,3-dimethyl-1H-indole-6-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 2772885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).