2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid

C11H10ClNO2 — CID 82269122

IUPAC2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid
SMILESCc1cc(C)c2c(C(=O)O)c(Cl)[nH]c2c1
InChIInChI=1S/C11H10ClNO2/c1-5-3-6(2)8-7(4-5)13-10(12)9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeyJXXGCCKZHBHSBM-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid

2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid (PubChem CID 82269122) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid
PubChem CID82269122
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid
SMILESCc1cc(C)c2c(C(=O)O)c(Cl)[nH]c2c1
InChIInChI=1S/C11H10ClNO2/c1-5-3-6(2)8-7(4-5)13-10(12)9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeyJXXGCCKZHBHSBM-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4,6-dimethyl-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

Related Compounds

2-chloro-5,6-dimethyl-1H-indole-3-carboxylic acid
CID 82269063
(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
CID 82269123
N,2,4,6-tetramethyl-1H-indole-3-carboxamide
CID 65335343
3-ethyl-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 84622568
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
5,7-dimethyl-9H-carbazol-3-ol
CID 171714931
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
3-chloro-4,6-dimethyl-1-benzofuran-2-carboxylic acid
CID 141393833
3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
CID 54725926
5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630864
3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 82214123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid?
The IUPAC name of 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid (CID 82269122) is 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid is Cc1cc(C)c2c(C(=O)O)c(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid?
The InChIKey is JXXGCCKZHBHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-5-3-6(2)8-7(4-5)13-10(12)9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid?
2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid has a molecular weight of 223.66 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 82269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).