4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine

C11H3BrCl2F4N2 — CID 106763594

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFc1c(-c2cc(C(F)(F)F)nc(Cl)n2)ccc(Br)c1Cl
InChIInChI=1S/C11H3BrCl2F4N2/c12-5-2-1-4(9(15)8(5)13)6-3-7(11(16,17)18)20-10(14)19-6/h1-3H
InChIKeyBVPSVIQHISQZQA-UHFFFAOYSA-N
MW389.96 g/mol
LogP5.37
Rot. Bonds1

About 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine

4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 106763594) has the molecular formula C11H3BrCl2F4N2 and a molecular weight of 389.96 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID106763594
Molecular FormulaC11H3BrCl2F4N2
Molecular Weight389.96 g/mol
Exact Mass387.88
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFc1c(-c2cc(C(F)(F)F)nc(Cl)n2)ccc(Br)c1Cl
InChIInChI=1S/C11H3BrCl2F4N2/c12-5-2-1-4(9(15)8(5)13)6-3-7(11(16,17)18)20-10(14)19-6/h1-3H
InChIKeyBVPSVIQHISQZQA-UHFFFAOYSA-N
XLogP5.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)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-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine (CID 106763594) is 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine is Fc1c(-c2cc(C(F)(F)F)nc(Cl)n2)ccc(Br)c1Cl.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is BVPSVIQHISQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3BrCl2F4N2/c12-5-2-1-4(9(15)8(5)13)6-3-7(11(16,17)18)20-10(14)19-6/h1-3H.
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine?
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 389.96 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106763594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).