5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine

C10H6F3N3S — CID 166514336

IUPAC5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1cnccc1Sc1cncnc1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)8-5-14-2-1-9(8)17-7-3-15-6-16-4-7/h1-6H
InChIKeyZQKIXWDVPPXZET-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.04
Rot. Bonds2

About 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine

5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine (PubChem CID 166514336) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine
PubChem CID166514336
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1cnccc1Sc1cncnc1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)8-5-14-2-1-9(8)17-7-3-15-6-16-4-7/h1-6H
InChIKeyZQKIXWDVPPXZET-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 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine (CID 166514336) is 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine is FC(F)(F)c1cnccc1Sc1cncnc1.
What is the InChIKey of 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is ZQKIXWDVPPXZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c11-10(12,13)8-5-14-2-1-9(8)17-7-3-15-6-16-4-7/h1-6H.
What are the key properties of 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine?
5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]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 5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 166514336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).