4-chloro-2-(3-fluorophenyl)pyrimidine

C10H6ClFN2 — CID 599729

IUPAC4-chloro-2-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2nccc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2/c11-9-4-5-13-10(14-9)7-2-1-3-8(12)6-7/h1-6H
InChIKeyQQULGPQGENSSEM-UHFFFAOYSA-N
MW208.62 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-2-(3-fluorophenyl)pyrimidine

4-chloro-2-(3-fluorophenyl)pyrimidine (PubChem CID 599729) has the molecular formula C10H6ClFN2 and a molecular weight of 208.62 g/mol. Its IUPAC name is 4-chloro-2-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluorophenyl)pyrimidine
PubChem CID599729
Molecular FormulaC10H6ClFN2
Molecular Weight208.62 g/mol
Exact Mass208.02
IUPAC Name4-chloro-2-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2nccc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2/c11-9-4-5-13-10(14-9)7-2-1-3-8(12)6-7/h1-6H
InChIKeyQQULGPQGENSSEM-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(3-fluorophenyl)pyrimidine 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-chloro-2-(3-fluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-fluorophenyl)pyrimidine (CID 599729) is 4-chloro-2-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluorophenyl)pyrimidine is Fc1cccc(-c2nccc(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-(3-fluorophenyl)pyrimidine?
The InChIKey is QQULGPQGENSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2/c11-9-4-5-13-10(14-9)7-2-1-3-8(12)6-7/h1-6H.
What are the key properties of 4-chloro-2-(3-fluorophenyl)pyrimidine?
4-chloro-2-(3-fluorophenyl)pyrimidine has a molecular weight of 208.62 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 599729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).