5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid

C21H14ClFN2O3 — CID 56658428

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid
SMILESO=C(O)c1c(-n2ccccc2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C21H14ClFN2O3/c22-14-8-9-17-15(11-14)19(24-10-4-3-7-18(24)26)20(21(27)28)25(17)12-13-5-1-2-6-16(13)23/h1-11H,12H2,(H,27,28)
InChIKeyCUDLNQJHCAXKLM-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid

5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid (PubChem CID 56658428) has the molecular formula C21H14ClFN2O3 and a molecular weight of 396.81 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid
PubChem CID56658428
Molecular FormulaC21H14ClFN2O3
Molecular Weight396.81 g/mol
Exact Mass396.07
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid
SMILESO=C(O)c1c(-n2ccccc2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C21H14ClFN2O3/c22-14-8-9-17-15(11-14)19(24-10-4-3-7-18(24)26)20(21(27)28)25(17)12-13-5-1-2-6-16(13)23/h1-11H,12H2,(H,27,28)
InChIKeyCUDLNQJHCAXKLM-UHFFFAOYSA-N
XLogP4.33
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)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-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid (CID 56658428) is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid is O=C(O)c1c(-n2ccccc2=O)c2cc(Cl)ccc2n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid?
The InChIKey is CUDLNQJHCAXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3/c22-14-8-9-17-15(11-14)19(24-10-4-3-7-18(24)26)20(21(27)28)25(17)12-13-5-1-2-6-16(13)23/h1-11H,12H2,(H,27,28).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid?
5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid has a molecular weight of 396.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)indole-2-carboxylic acid is sourced from PubChem (CID 56658428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).