2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine

C19H20F3NO2S — CID 144945996

IUPAC2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
SMILESCOc1ccc(C2CC(C)(Sc3cccc(C(F)(F)F)c3)CCO2)cn1
InChIInChI=1S/C19H20F3NO2S/c1-18(26-15-5-3-4-14(10-15)19(20,21)22)8-9-25-16(11-18)13-6-7-17(24-2)23-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyJQICBMBDERZWGN-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.51
Rot. Bonds4

About 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine

2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine (PubChem CID 144945996) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
PubChem CID144945996
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
SMILESCOc1ccc(C2CC(C)(Sc3cccc(C(F)(F)F)c3)CCO2)cn1
InChIInChI=1S/C19H20F3NO2S/c1-18(26-15-5-3-4-14(10-15)19(20,21)22)8-9-25-16(11-18)13-6-7-17(24-2)23-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyJQICBMBDERZWGN-UHFFFAOYSA-N
XLogP5.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]-3-(3,3,3-trifluoropropoxy)-1H-pyrazole
CID 145288899
2-[1-(methoxymethyl)-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyrazol-3-yl]acetonitrile
CID 129026526
[difluoro-[3-[4-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]sulfanylphenyl]methyl]phosphane
CID 144946020
2-(4-chlorophenyl)-4-methoxy-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 174833807
5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-3-(trifluoromethyl)pyridine
CID 118434254
5-bromo-3-fluoro-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434304
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-1H-pyrazole
CID 129023668
5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
CID 114939001
7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
3-bromo-1-(methoxymethyl)-5-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyrazole
CID 126744216
3-chloro-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434247

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The IUPAC name of 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine (CID 144945996) is 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine is COc1ccc(C2CC(C)(Sc3cccc(C(F)(F)F)c3)CCO2)cn1.
What is the InChIKey of 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The InChIKey is JQICBMBDERZWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c1-18(26-15-5-3-4-14(10-15)19(20,21)22)8-9-25-16(11-18)13-6-7-17(24-2)23-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3.
What are the key properties of 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine has a molecular weight of 383.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine is sourced from PubChem (CID 144945996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).