5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine

C17H15ClF3NO2S — CID 138712102

IUPAC5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine
SMILESO=S(c1cccc(C(F)(F)F)c1)C1CCOC(c2ccc(Cl)cn2)C1
InChIInChI=1S/C17H15ClF3NO2S/c18-12-4-5-15(22-10-12)16-9-14(6-7-24-16)25(23)13-3-1-2-11(8-13)17(19,20)21/h1-5,8,10,14,16H,6-7,9H2
InChIKeySZPKPACSMPYUEC-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.78
Rot. Bonds3

About 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine

5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine (PubChem CID 138712102) has the molecular formula C17H15ClF3NO2S and a molecular weight of 389.83 g/mol. Its IUPAC name is 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine
PubChem CID138712102
Molecular FormulaC17H15ClF3NO2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC Name5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine
SMILESO=S(c1cccc(C(F)(F)F)c1)C1CCOC(c2ccc(Cl)cn2)C1
InChIInChI=1S/C17H15ClF3NO2S/c18-12-4-5-15(22-10-12)16-9-14(6-7-24-16)25(23)13-3-1-2-11(8-13)17(19,20)21/h1-5,8,10,14,16H,6-7,9H2
InChIKeySZPKPACSMPYUEC-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyloxan-2-yl)-5-(trifluoromethyl)pyridine
CID 129085545
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CID 115478145
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
CID 115478131
5-bromo-3-fluoro-2-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434388
CID 53444038
CID 53444038
4-[2-bromo-5-(trifluoromethyl)phenyl]sulfonyl-2-(4-chlorophenyl)oxane
CID 118432440
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
2-(4-chlorophenyl)-4-methyl-3-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 118456643
1-(5-chloro-2-pyridinyl)-2-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]ethanone
CID 162094000
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
1-(5-chloro-2-pyridinyl)-1-[2-fluoro-2-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]-3-[(1S)-3-hydroxycyclopentyl]urea
CID 154434259
1-bromo-4-(trifluoromethyl)benzene;4-[2-bromo-5-(trifluoromethyl)phenyl]sulfanyl-2-(4-chlorophenyl)oxane
CID 162054790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine?
The IUPAC name of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine (CID 138712102) is 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine?
The canonical SMILES for 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine is O=S(c1cccc(C(F)(F)F)c1)C1CCOC(c2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine?
The InChIKey is SZPKPACSMPYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2S/c18-12-4-5-15(22-10-12)16-9-14(6-7-24-16)25(23)13-3-1-2-11(8-13)17(19,20)21/h1-5,8,10,14,16H,6-7,9H2.
What are the key properties of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine?
5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine has a molecular weight of 389.83 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfinyloxan-2-yl]pyridine is sourced from PubChem (CID 138712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).