5-fluoro-2-(4-isocyanophenyl)pyridine

C12H7FN2 — CID 176758449

IUPAC5-fluoro-2-(4-isocyanophenyl)pyridine
SMILES[C-]#[N+]c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C12H7FN2/c1-14-11-5-2-9(3-6-11)12-7-4-10(13)8-15-12/h2-8H
InChIKeyZZXAICLZNAALKT-UHFFFAOYSA-N
MW198.20 g/mol
LogP3.44
Rot. Bonds1

About 5-fluoro-2-(4-isocyanophenyl)pyridine

5-fluoro-2-(4-isocyanophenyl)pyridine (PubChem CID 176758449) has the molecular formula C12H7FN2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-2-(4-isocyanophenyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-(4-isocyanophenyl)pyridine
PubChem CID176758449
Molecular FormulaC12H7FN2
Molecular Weight198.20 g/mol
Exact Mass198.06
IUPAC Name5-fluoro-2-(4-isocyanophenyl)pyridine
SMILES[C-]#[N+]c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C12H7FN2/c1-14-11-5-2-9(3-6-11)12-7-4-10(13)8-15-12/h2-8H
InChIKeyZZXAICLZNAALKT-UHFFFAOYSA-N
XLogP3.44
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(4-isocyanophenyl)pyridine 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-fluoro-2-(4-isocyanophenyl)pyridine?
The IUPAC name of 5-fluoro-2-(4-isocyanophenyl)pyridine (CID 176758449) is 5-fluoro-2-(4-isocyanophenyl)pyridine.
What is the SMILES notation for 5-fluoro-2-(4-isocyanophenyl)pyridine?
The canonical SMILES for 5-fluoro-2-(4-isocyanophenyl)pyridine is [C-]#[N+]c1ccc(-c2ccc(F)cn2)cc1.
What is the InChIKey of 5-fluoro-2-(4-isocyanophenyl)pyridine?
The InChIKey is ZZXAICLZNAALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2/c1-14-11-5-2-9(3-6-11)12-7-4-10(13)8-15-12/h2-8H.
What are the key properties of 5-fluoro-2-(4-isocyanophenyl)pyridine?
5-fluoro-2-(4-isocyanophenyl)pyridine has a molecular weight of 198.20 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-isocyanophenyl)pyridine is sourced from PubChem (CID 176758449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).