3-fluoro-2-(1H-indol-4-yl)benzonitrile

C15H9FN2 — CID 150927923

IUPAC3-fluoro-2-(1H-indol-4-yl)benzonitrile
SMILESN#Cc1cccc(F)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C15H9FN2/c16-13-5-1-3-10(9-17)15(13)12-4-2-6-14-11(12)7-8-18-14/h1-8,18H
InChIKeyLFKHYJAJLWVXRE-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.85
Rot. Bonds1

About 3-fluoro-2-(1H-indol-4-yl)benzonitrile

3-fluoro-2-(1H-indol-4-yl)benzonitrile (PubChem CID 150927923) has the molecular formula C15H9FN2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-fluoro-2-(1H-indol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-(1H-indol-4-yl)benzonitrile
PubChem CID150927923
Molecular FormulaC15H9FN2
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Name3-fluoro-2-(1H-indol-4-yl)benzonitrile
SMILESN#Cc1cccc(F)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C15H9FN2/c16-13-5-1-3-10(9-17)15(13)12-4-2-6-14-11(12)7-8-18-14/h1-8,18H
InChIKeyLFKHYJAJLWVXRE-UHFFFAOYSA-N
XLogP3.85
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-(1H-indol-4-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
(-)-Agroclavine
CID 73484
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1H-indol-4-yl)benzonitrile?
The IUPAC name of 3-fluoro-2-(1H-indol-4-yl)benzonitrile (CID 150927923) is 3-fluoro-2-(1H-indol-4-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-2-(1H-indol-4-yl)benzonitrile?
The canonical SMILES for 3-fluoro-2-(1H-indol-4-yl)benzonitrile is N#Cc1cccc(F)c1-c1cccc2[nH]ccc12.
What is the InChIKey of 3-fluoro-2-(1H-indol-4-yl)benzonitrile?
The InChIKey is LFKHYJAJLWVXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2/c16-13-5-1-3-10(9-17)15(13)12-4-2-6-14-11(12)7-8-18-14/h1-8,18H.
What are the key properties of 3-fluoro-2-(1H-indol-4-yl)benzonitrile?
3-fluoro-2-(1H-indol-4-yl)benzonitrile has a molecular weight of 236.25 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1H-indol-4-yl)benzonitrile is sourced from PubChem (CID 150927923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).