4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C16H9ClF3N3S — CID 1475336

IUPAC4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9ClF3N3S/c17-10-4-6-11(7-5-10)24-14-9-13(16(18,19)20)22-15(23-14)12-3-1-2-8-21-12/h1-9H
InChIKeyDBOFCDAHSATZCF-UHFFFAOYSA-N
MW367.78 g/mol
LogP5.36
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1475336) has the molecular formula C16H9ClF3N3S and a molecular weight of 367.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1475336
Molecular FormulaC16H9ClF3N3S
Molecular Weight367.78 g/mol
Exact Mass367.02
IUPAC Name4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9ClF3N3S/c17-10-4-6-11(7-5-10)24-14-9-13(16(18,19)20)22-15(23-14)12-3-1-2-8-21-12/h1-9H
InChIKeyDBOFCDAHSATZCF-UHFFFAOYSA-N
XLogP5.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.78
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1475336) is 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is DBOFCDAHSATZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3S/c17-10-4-6-11(7-5-10)24-14-9-13(16(18,19)20)22-15(23-14)12-3-1-2-8-21-12/h1-9H.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 367.78 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).