4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine

C15H8Cl2FN3 — CID 79431898

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1
InChIInChI=1S/C15H8Cl2FN3/c16-13-12(9-4-6-10(18)7-5-9)14(17)21-15(20-13)11-3-1-2-8-19-11/h1-8H
InChIKeyWYHUHGYSQAAESN-UHFFFAOYSA-N
MW320.15 g/mol
LogP4.65
Rot. Bonds2

About 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine (PubChem CID 79431898) has the molecular formula C15H8Cl2FN3 and a molecular weight of 320.15 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
PubChem CID79431898
Molecular FormulaC15H8Cl2FN3
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1
InChIInChI=1S/C15H8Cl2FN3/c16-13-12(9-4-6-10(18)7-5-9)14(17)21-15(20-13)11-3-1-2-8-19-11/h1-8H
InChIKeyWYHUHGYSQAAESN-UHFFFAOYSA-N
XLogP4.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine 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 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine (CID 79431898) is 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine is Fc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine?
The InChIKey is WYHUHGYSQAAESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3/c16-13-12(9-4-6-10(18)7-5-9)14(17)21-15(20-13)11-3-1-2-8-19-11/h1-8H.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine has a molecular weight of 320.15 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 79431898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).