2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine

C14H12FNOS — CID 174289068

IUPAC2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine
SMILESCOc1cccnc1S/C=C/c1ccccc1F
InChIInChI=1S/C14H12FNOS/c1-17-13-7-4-9-16-14(13)18-10-8-11-5-2-3-6-12(11)15/h2-10H,1H3/b10-8+
InChIKeyPQQVNUBTAVGWPY-CSKARUKUSA-N
MW261.32 g/mol
LogP3.99
Rot. Bonds4

About 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine

2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine (PubChem CID 174289068) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine
PubChem CID174289068
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine
SMILESCOc1cccnc1S/C=C/c1ccccc1F
InChIInChI=1S/C14H12FNOS/c1-17-13-7-4-9-16-14(13)18-10-8-11-5-2-3-6-12(11)15/h2-10H,1H3/b10-8+
InChIKeyPQQVNUBTAVGWPY-CSKARUKUSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
CID 11253913
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961
cyclobutane;2-[2-(2-fluorophenyl)ethenyl]pyridine
CID 175276966
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 67827143
3-ethoxy-2-fluoropyridine
CID 11355527
3-fluoro-2-pyridin-2-ylpyridine;methoxymethane
CID 145129615
(E)-3-(2-fluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 127043928

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine?
The IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine (CID 174289068) is 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine.
What is the SMILES notation for 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine?
The canonical SMILES for 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine is COc1cccnc1S/C=C/c1ccccc1F.
What is the InChIKey of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine?
The InChIKey is PQQVNUBTAVGWPY-CSKARUKUSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-17-13-7-4-9-16-14(13)18-10-8-11-5-2-3-6-12(11)15/h2-10H,1H3/b10-8+.
What are the key properties of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine?
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine has a molecular weight of 261.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine is sourced from PubChem (CID 174289068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).