4-bromo-6-(4-fluorophenyl)pyrimidine

C10H6BrFN2 — CID 589892

IUPAC4-bromo-6-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2cc(Br)ncn2)cc1
InChIInChI=1S/C10H6BrFN2/c11-10-5-9(13-6-14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKeyVVLXBRIIRDGDMQ-UHFFFAOYSA-N
MW253.07 g/mol
LogP3.05
Rot. Bonds1

About 4-bromo-6-(4-fluorophenyl)pyrimidine

4-bromo-6-(4-fluorophenyl)pyrimidine (PubChem CID 589892) has the molecular formula C10H6BrFN2 and a molecular weight of 253.07 g/mol. Its IUPAC name is 4-bromo-6-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-(4-fluorophenyl)pyrimidine
PubChem CID589892
Molecular FormulaC10H6BrFN2
Molecular Weight253.07 g/mol
Exact Mass251.97
IUPAC Name4-bromo-6-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2cc(Br)ncn2)cc1
InChIInChI=1S/C10H6BrFN2/c11-10-5-9(13-6-14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKeyVVLXBRIIRDGDMQ-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.07
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-(4-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-bromo-6-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4-bromo-6-(4-fluorophenyl)pyrimidine (CID 589892) is 4-bromo-6-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-bromo-6-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-bromo-6-(4-fluorophenyl)pyrimidine is Fc1ccc(-c2cc(Br)ncn2)cc1.
What is the InChIKey of 4-bromo-6-(4-fluorophenyl)pyrimidine?
The InChIKey is VVLXBRIIRDGDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2/c11-10-5-9(13-6-14-10)7-1-3-8(12)4-2-7/h1-6H.
What are the key properties of 4-bromo-6-(4-fluorophenyl)pyrimidine?
4-bromo-6-(4-fluorophenyl)pyrimidine has a molecular weight of 253.07 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 589892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).