2-ethenyl-3-methylsulfanyl-5-phenoxypyridine

C14H13NOS — CID 59306205

IUPAC2-ethenyl-3-methylsulfanyl-5-phenoxypyridine
SMILESC=Cc1ncc(Oc2ccccc2)cc1SC
InChIInChI=1S/C14H13NOS/c1-3-13-14(17-2)9-12(10-15-13)16-11-7-5-4-6-8-11/h3-10H,1H2,2H3
InChIKeyPHTLXHHLEOTEDZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.24
Rot. Bonds4

About 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine

2-ethenyl-3-methylsulfanyl-5-phenoxypyridine (PubChem CID 59306205) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine.

Molecular Properties

Compound Name2-ethenyl-3-methylsulfanyl-5-phenoxypyridine
PubChem CID59306205
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-ethenyl-3-methylsulfanyl-5-phenoxypyridine
SMILESC=Cc1ncc(Oc2ccccc2)cc1SC
InChIInChI=1S/C14H13NOS/c1-3-13-14(17-2)9-12(10-15-13)16-11-7-5-4-6-8-11/h3-10H,1H2,2H3
InChIKeyPHTLXHHLEOTEDZ-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine?
The IUPAC name of 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine (CID 59306205) is 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine.
What is the SMILES notation for 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine?
The canonical SMILES for 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine is C=Cc1ncc(Oc2ccccc2)cc1SC.
What is the InChIKey of 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine?
The InChIKey is PHTLXHHLEOTEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-3-13-14(17-2)9-12(10-15-13)16-11-7-5-4-6-8-11/h3-10H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine?
2-ethenyl-3-methylsulfanyl-5-phenoxypyridine has a molecular weight of 243.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methylsulfanyl-5-phenoxypyridine is sourced from PubChem (CID 59306205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).