2-fluoroindolizine-3-carbonitrile

C9H5FN2 — CID 45088639

IUPAC2-fluoroindolizine-3-carbonitrile
SMILESN#Cc1c(F)cc2ccccn12
InChIInChI=1S/C9H5FN2/c10-8-5-7-3-1-2-4-12(7)9(8)6-11/h1-5H
InChIKeyFQCIFQCBBOCHGJ-UHFFFAOYSA-N
MW160.15 g/mol
LogP1.95
Rot. Bonds

About 2-fluoroindolizine-3-carbonitrile

2-fluoroindolizine-3-carbonitrile (PubChem CID 45088639) has the molecular formula C9H5FN2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-fluoroindolizine-3-carbonitrile.

Molecular Properties

Compound Name2-fluoroindolizine-3-carbonitrile
PubChem CID45088639
Molecular FormulaC9H5FN2
Molecular Weight160.15 g/mol
Exact Mass160.04
IUPAC Name2-fluoroindolizine-3-carbonitrile
SMILESN#Cc1c(F)cc2ccccn12
InChIInChI=1S/C9H5FN2/c10-8-5-7-3-1-2-4-12(7)9(8)6-11/h1-5H
InChIKeyFQCIFQCBBOCHGJ-UHFFFAOYSA-N
XLogP1.95
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoroindolizine-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 2-fluoroindolizine-3-carbonitrile?
The IUPAC name of 2-fluoroindolizine-3-carbonitrile (CID 45088639) is 2-fluoroindolizine-3-carbonitrile.
What is the SMILES notation for 2-fluoroindolizine-3-carbonitrile?
The canonical SMILES for 2-fluoroindolizine-3-carbonitrile is N#Cc1c(F)cc2ccccn12.
What is the InChIKey of 2-fluoroindolizine-3-carbonitrile?
The InChIKey is FQCIFQCBBOCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2/c10-8-5-7-3-1-2-4-12(7)9(8)6-11/h1-5H.
What are the key properties of 2-fluoroindolizine-3-carbonitrile?
2-fluoroindolizine-3-carbonitrile has a molecular weight of 160.15 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroindolizine-3-carbonitrile is sourced from PubChem (CID 45088639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).