6-chloro-2-methyl-1H-indole-5-carboxylic acid

C10H8ClNO2 — CID 23526798

IUPAC6-chloro-2-methyl-1H-indole-5-carboxylic acid
SMILESCc1cc2cc(C(=O)O)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyZOKNNTHGXKIWSP-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.83
Rot. Bonds1

About 6-chloro-2-methyl-1H-indole-5-carboxylic acid

6-chloro-2-methyl-1H-indole-5-carboxylic acid (PubChem CID 23526798) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-methyl-1H-indole-5-carboxylic acid
PubChem CID23526798
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name6-chloro-2-methyl-1H-indole-5-carboxylic acid
SMILESCc1cc2cc(C(=O)O)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyZOKNNTHGXKIWSP-UHFFFAOYSA-N
XLogP2.83
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6-chloro-2-methyl-1H-indole-5-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 6-chloro-2-methyl-1H-indole-5-carboxylic acid?
The IUPAC name of 6-chloro-2-methyl-1H-indole-5-carboxylic acid (CID 23526798) is 6-chloro-2-methyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-methyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-methyl-1H-indole-5-carboxylic acid is Cc1cc2cc(C(=O)O)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-methyl-1H-indole-5-carboxylic acid?
The InChIKey is ZOKNNTHGXKIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 6-chloro-2-methyl-1H-indole-5-carboxylic acid?
6-chloro-2-methyl-1H-indole-5-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 23526798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).