1-(4-chlorophenyl)indole-2-carboxylic acid

C15H10ClNO2 — CID 22394333

IUPAC1-(4-chlorophenyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19/h1-9H,(H,18,19)
InChIKeyGQJKDHLNWBITEP-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.98
Rot. Bonds2

About 1-(4-chlorophenyl)indole-2-carboxylic acid

1-(4-chlorophenyl)indole-2-carboxylic acid (PubChem CID 22394333) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)indole-2-carboxylic acid
PubChem CID22394333
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name1-(4-chlorophenyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19/h1-9H,(H,18,19)
InChIKeyGQJKDHLNWBITEP-UHFFFAOYSA-N
XLogP3.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)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 1-(4-chlorophenyl)indole-2-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)indole-2-carboxylic acid (CID 22394333) is 1-(4-chlorophenyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)indole-2-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)indole-2-carboxylic acid?
The InChIKey is GQJKDHLNWBITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19/h1-9H,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)indole-2-carboxylic acid?
1-(4-chlorophenyl)indole-2-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)indole-2-carboxylic acid is sourced from PubChem (CID 22394333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).