2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine

C10H3BrCl2F2N2 — CID 81436237

IUPAC2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
SMILESFc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1Br
InChIInChI=1S/C10H3BrCl2F2N2/c11-5-2-1-4(3-6(5)14)10-16-8(12)7(15)9(13)17-10/h1-3H
InChIKeyJJQFMDNNBKGOAC-UHFFFAOYSA-N
MW339.95 g/mol
LogP4.49
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine

2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine (PubChem CID 81436237) has the molecular formula C10H3BrCl2F2N2 and a molecular weight of 339.95 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
PubChem CID81436237
Molecular FormulaC10H3BrCl2F2N2
Molecular Weight339.95 g/mol
Exact Mass337.88
IUPAC Name2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
SMILESFc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1Br
InChIInChI=1S/C10H3BrCl2F2N2/c11-5-2-1-4(3-6(5)14)10-16-8(12)7(15)9(13)17-10/h1-3H
InChIKeyJJQFMDNNBKGOAC-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.95
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine 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 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine (CID 81436237) is 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine is Fc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine?
The InChIKey is JJQFMDNNBKGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl2F2N2/c11-5-2-1-4(3-6(5)14)10-16-8(12)7(15)9(13)17-10/h1-3H.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine?
2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine has a molecular weight of 339.95 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 81436237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).