4-fluoro-3H-indole-2-carboxylic acid

C9H6FNO2 — CID 58547669

IUPAC4-fluoro-3H-indole-2-carboxylic acid
SMILESO=C(O)C1=Nc2cccc(F)c2C1
InChIInChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3H,4H2,(H,12,13)
InChIKeyPPFLPWSIZWOZDE-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.54
Rot. Bonds1

About 4-fluoro-3H-indole-2-carboxylic acid

4-fluoro-3H-indole-2-carboxylic acid (PubChem CID 58547669) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-fluoro-3H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3H-indole-2-carboxylic acid
PubChem CID58547669
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name4-fluoro-3H-indole-2-carboxylic acid
SMILESO=C(O)C1=Nc2cccc(F)c2C1
InChIInChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3H,4H2,(H,12,13)
InChIKeyPPFLPWSIZWOZDE-UHFFFAOYSA-N
XLogP1.54
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3H-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 4-fluoro-3H-indole-2-carboxylic acid?
The IUPAC name of 4-fluoro-3H-indole-2-carboxylic acid (CID 58547669) is 4-fluoro-3H-indole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-3H-indole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-3H-indole-2-carboxylic acid is O=C(O)C1=Nc2cccc(F)c2C1.
What is the InChIKey of 4-fluoro-3H-indole-2-carboxylic acid?
The InChIKey is PPFLPWSIZWOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3H,4H2,(H,12,13).
What are the key properties of 4-fluoro-3H-indole-2-carboxylic acid?
4-fluoro-3H-indole-2-carboxylic acid has a molecular weight of 179.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3H-indole-2-carboxylic acid is sourced from PubChem (CID 58547669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).