7-fluoro-6-hydroxy-1H-indole-3-carbonitrile

C9H5FN2O — CID 130049769

IUPAC7-fluoro-6-hydroxy-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)c(O)ccc12
InChIInChI=1S/C9H5FN2O/c10-8-7(13)2-1-6-5(3-11)4-12-9(6)8/h1-2,4,12-13H
InChIKeyAJJHKYWEOYPZDY-UHFFFAOYSA-N
MW176.15 g/mol
LogP1.88
Rot. Bonds

About 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile

7-fluoro-6-hydroxy-1H-indole-3-carbonitrile (PubChem CID 130049769) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-1H-indole-3-carbonitrile
PubChem CID130049769
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name7-fluoro-6-hydroxy-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)c(O)ccc12
InChIInChI=1S/C9H5FN2O/c10-8-7(13)2-1-6-5(3-11)4-12-9(6)8/h1-2,4,12-13H
InChIKeyAJJHKYWEOYPZDY-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile 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 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile?
The IUPAC name of 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile (CID 130049769) is 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile?
The canonical SMILES for 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile is N#Cc1c[nH]c2c(F)c(O)ccc12.
What is the InChIKey of 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile?
The InChIKey is AJJHKYWEOYPZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c10-8-7(13)2-1-6-5(3-11)4-12-9(6)8/h1-2,4,12-13H.
What are the key properties of 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile?
7-fluoro-6-hydroxy-1H-indole-3-carbonitrile has a molecular weight of 176.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 130049769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).