2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine

C10H6F3N3S — CID 51033319

IUPAC2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Sc2ccccn2)n1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-4-6-15-9(16-7)17-8-3-1-2-5-14-8/h1-6H
InChIKeyBFKGGAONCZJWNL-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.04
Rot. Bonds2

About 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine

2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine (PubChem CID 51033319) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine
PubChem CID51033319
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Sc2ccccn2)n1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-4-6-15-9(16-7)17-8-3-1-2-5-14-8/h1-6H
InChIKeyBFKGGAONCZJWNL-UHFFFAOYSA-N
XLogP3.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine (CID 51033319) is 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Sc2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is BFKGGAONCZJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c11-10(12,13)7-4-6-15-9(16-7)17-8-3-1-2-5-14-8/h1-6H.
What are the key properties of 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine?
2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 257.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 51033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).