5-chloro-3-fluoro-1H-indole-2-carboxylic acid

C9H5ClFNO2 — CID 22934792

IUPAC5-chloro-3-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(Cl)cc2c1F
InChIInChI=1S/C9H5ClFNO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)
InChIKeyQJNQOZWZLUDLAO-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.66
Rot. Bonds1

About 5-chloro-3-fluoro-1H-indole-2-carboxylic acid

5-chloro-3-fluoro-1H-indole-2-carboxylic acid (PubChem CID 22934792) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 5-chloro-3-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-fluoro-1H-indole-2-carboxylic acid
PubChem CID22934792
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name5-chloro-3-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(Cl)cc2c1F
InChIInChI=1S/C9H5ClFNO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)
InChIKeyQJNQOZWZLUDLAO-UHFFFAOYSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-fluoro-1H-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-3-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-fluoro-1H-indole-2-carboxylic acid (CID 22934792) is 5-chloro-3-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-fluoro-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccc(Cl)cc2c1F.
What is the InChIKey of 5-chloro-3-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is QJNQOZWZLUDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-1H-indole-2-carboxylic acid?
5-chloro-3-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 213.59 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).