2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine

C11H4Cl3F3N2 — CID 57468690

IUPAC2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2/c12-5-1-2-6(7(13)3-5)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H
InChIKeyVNHPEPHTAQEJKY-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.12
Rot. Bonds1

About 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 57468690) has the molecular formula C11H4Cl3F3N2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID57468690
Molecular FormulaC11H4Cl3F3N2
Molecular Weight327.52 g/mol
Exact Mass325.94
IUPAC Name2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2/c12-5-1-2-6(7(13)3-5)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H
InChIKeyVNHPEPHTAQEJKY-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(2,4-dichlorophenyl)-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 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine (CID 57468690) is 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is VNHPEPHTAQEJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2/c12-5-1-2-6(7(13)3-5)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H.
What are the key properties of 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 327.52 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).