3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine

C21H14FN3 — CID 71084420

IUPAC3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine
SMILESFc1ccc(-c2nncc(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H14FN3/c22-17-11-9-16(10-12-17)21-20(15-6-2-1-3-7-15)18(14-24-25-21)19-8-4-5-13-23-19/h1-14H
InChIKeyLGNLCAYVRHXARK-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.01
Rot. Bonds3

About 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine

3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine (PubChem CID 71084420) has the molecular formula C21H14FN3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine
PubChem CID71084420
Molecular FormulaC21H14FN3
Molecular Weight327.36 g/mol
Exact Mass327.12
IUPAC Name3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine
SMILESFc1ccc(-c2nncc(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H14FN3/c22-17-11-9-16(10-12-17)21-20(15-6-2-1-3-7-15)18(14-24-25-21)19-8-4-5-13-23-19/h1-14H
InChIKeyLGNLCAYVRHXARK-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine 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 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine?
The IUPAC name of 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine (CID 71084420) is 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine is Fc1ccc(-c2nncc(-c3ccccn3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine?
The InChIKey is LGNLCAYVRHXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3/c22-17-11-9-16(10-12-17)21-20(15-6-2-1-3-7-15)18(14-24-25-21)19-8-4-5-13-23-19/h1-14H.
What are the key properties of 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine?
3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine has a molecular weight of 327.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine is sourced from PubChem (CID 71084420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).