2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine

C10H12FNOS — CID 139343840

IUPAC2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine
SMILESCCO/C=C/c1cc(SC)c(F)cn1
InChIInChI=1S/C10H12FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h4-7H,3H2,1-2H3/b5-4+
InChIKeyKJGCWSYLSGRVFB-SNAWJCMRSA-N
MW213.28 g/mol
LogP2.95
Rot. Bonds4

About 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine

2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine (PubChem CID 139343840) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine
PubChem CID139343840
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine
SMILESCCO/C=C/c1cc(SC)c(F)cn1
InChIInChI=1S/C10H12FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h4-7H,3H2,1-2H3/b5-4+
InChIKeyKJGCWSYLSGRVFB-SNAWJCMRSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine?
The IUPAC name of 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine (CID 139343840) is 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine.
What is the SMILES notation for 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine?
The canonical SMILES for 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine is CCO/C=C/c1cc(SC)c(F)cn1.
What is the InChIKey of 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine?
The InChIKey is KJGCWSYLSGRVFB-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h4-7H,3H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine?
2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine has a molecular weight of 213.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-ethoxyethenyl]-5-fluoro-4-methylsulfanylpyridine is sourced from PubChem (CID 139343840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).