2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine

C15H7BrClF3N2S — CID 67394664

IUPAC2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H7BrClF3N2S/c16-9-3-1-2-8(6-9)14-21-10(11-4-5-13(17)23-11)7-12(22-14)15(18,19)20/h1-7H
InChIKeyLDRILWNXIARGEK-UHFFFAOYSA-N
MW419.65 g/mol
LogP6.31
Rot. Bonds2

About 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine

2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 67394664) has the molecular formula C15H7BrClF3N2S and a molecular weight of 419.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID67394664
Molecular FormulaC15H7BrClF3N2S
Molecular Weight419.65 g/mol
Exact Mass417.92
IUPAC Name2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H7BrClF3N2S/c16-9-3-1-2-8(6-9)14-21-10(11-4-5-13(17)23-11)7-12(22-14)15(18,19)20/h1-7H
InChIKeyLDRILWNXIARGEK-UHFFFAOYSA-N
XLogP6.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine (CID 67394664) is 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)s2)nc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is LDRILWNXIARGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClF3N2S/c16-9-3-1-2-8(6-9)14-21-10(11-4-5-13(17)23-11)7-12(22-14)15(18,19)20/h1-7H.
What are the key properties of 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 419.65 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 67394664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).