2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine

C15H12F3NOS — CID 10935840

IUPAC2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC2(Sc3ccccc3)CC2)nc1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)11-6-7-13(19-10-11)20-14(8-9-14)21-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyAIMNFXCRFHPSEW-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.76
Rot. Bonds4

About 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine

2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine (PubChem CID 10935840) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine
PubChem CID10935840
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC2(Sc3ccccc3)CC2)nc1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)11-6-7-13(19-10-11)20-14(8-9-14)21-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyAIMNFXCRFHPSEW-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide
CID 57367352
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
CID 157032861

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine (CID 10935840) is 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(OC2(Sc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine?
The InChIKey is AIMNFXCRFHPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-15(17,18)11-6-7-13(19-10-11)20-14(8-9-14)21-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine?
2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine has a molecular weight of 311.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 10935840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).