6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid

C9H6FNO3 — CID 117274534

IUPAC6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1c(F)cc2[nH]ccc2c1O
InChIInChI=1S/C9H6FNO3/c10-5-3-6-4(1-2-11-6)8(12)7(5)9(13)14/h1-3,11-12H,(H,13,14)
InChIKeyJSYZBHIPLIUIEZ-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.71
Rot. Bonds1

About 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid

6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid (PubChem CID 117274534) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
PubChem CID117274534
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1c(F)cc2[nH]ccc2c1O
InChIInChI=1S/C9H6FNO3/c10-5-3-6-4(1-2-11-6)8(12)7(5)9(13)14/h1-3,11-12H,(H,13,14)
InChIKeyJSYZBHIPLIUIEZ-UHFFFAOYSA-N
XLogP1.71
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-hydroxy-1H-indole-5-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 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid?
The IUPAC name of 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid (CID 117274534) is 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid is O=C(O)c1c(F)cc2[nH]ccc2c1O.
What is the InChIKey of 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid?
The InChIKey is JSYZBHIPLIUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-5-3-6-4(1-2-11-6)8(12)7(5)9(13)14/h1-3,11-12H,(H,13,14).
What are the key properties of 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid?
6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid has a molecular weight of 195.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid is sourced from PubChem (CID 117274534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).