4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine

C22H13ClF3N3 — CID 57468856

IUPAC4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C22H13ClF3N3/c23-18-8-6-14(7-9-18)19-12-20(22(24,25)26)29-21(28-19)16-4-1-3-15(11-16)17-5-2-10-27-13-17/h1-13H
InChIKeyDPCDJUIHXQCILP-UHFFFAOYSA-N
MW411.81 g/mol
LogP6.54
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine

4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 57468856) has the molecular formula C22H13ClF3N3 and a molecular weight of 411.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID57468856
Molecular FormulaC22H13ClF3N3
Molecular Weight411.81 g/mol
Exact Mass411.08
IUPAC Name4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C22H13ClF3N3/c23-18-8-6-14(7-9-18)19-12-20(22(24,25)26)29-21(28-19)16-4-1-3-15(11-16)17-5-2-10-27-13-17/h1-13H
InChIKeyDPCDJUIHXQCILP-UHFFFAOYSA-N
XLogP6.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.81
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine (CID 57468856) is 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cccc(-c3cccnc3)c2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is DPCDJUIHXQCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N3/c23-18-8-6-14(7-9-18)19-12-20(22(24,25)26)29-21(28-19)16-4-1-3-15(11-16)17-5-2-10-27-13-17/h1-13H.
What are the key properties of 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 411.81 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57468856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).