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

C17H15ClF3NOS — CID 118434258

IUPAC5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
SMILESFC(F)(F)c1cccc(SC2CCOC(c3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C17H15ClF3NOS/c18-12-4-5-15(22-10-12)16-9-14(6-7-23-16)24-13-3-1-2-11(8-13)17(19,20)21/h1-5,8,10,14,16H,6-7,9H2
InChIKeySLYIFISWIJAZCM-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.77
Rot. Bonds3

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

5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine (PubChem CID 118434258) has the molecular formula C17H15ClF3NOS and a molecular weight of 373.83 g/mol. Its IUPAC name is 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
PubChem CID118434258
Molecular FormulaC17H15ClF3NOS
Molecular Weight373.83 g/mol
Exact Mass373.05
IUPAC Name5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
SMILESFC(F)(F)c1cccc(SC2CCOC(c3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C17H15ClF3NOS/c18-12-4-5-15(22-10-12)16-9-14(6-7-23-16)24-13-3-1-2-11(8-13)17(19,20)21/h1-5,8,10,14,16H,6-7,9H2
InChIKeySLYIFISWIJAZCM-UHFFFAOYSA-N
XLogP5.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The IUPAC name of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine (CID 118434258) is 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The canonical SMILES for 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine is FC(F)(F)c1cccc(SC2CCOC(c3ccc(Cl)cn3)C2)c1.
What is the InChIKey of 5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine?
The InChIKey is SLYIFISWIJAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NOS/c18-12-4-5-15(22-10-12)16-9-14(6-7-23-16)24-13-3-1-2-11(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]sulfanyloxan-2-yl]pyridine?
5-chloro-2-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine has a molecular weight of 373.83 g/mol, XLogP of 5.77, 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]sulfanyloxan-2-yl]pyridine is sourced from PubChem (CID 118434258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).