2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

C10H6F3N3S — CID 2988972

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncccn2)nc1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-2-3-8(16-6-7)17-9-14-4-1-5-15-9/h1-6H
InChIKeyJAAHHJOGWVXXPV-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.04
Rot. Bonds2

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (PubChem CID 2988972) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
PubChem CID2988972
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncccn2)nc1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-2-3-8(16-6-7)17-9-14-4-1-5-15-9/h1-6H
InChIKeyJAAHHJOGWVXXPV-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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (CID 2988972) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is FC(F)(F)c1ccc(Sc2ncccn2)nc1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is JAAHHJOGWVXXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c11-10(12,13)7-2-3-8(16-6-7)17-9-14-4-1-5-15-9/h1-6H.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
2-[[5-(trifluoromethyl)-2-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 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 2988972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).