2-benzylsulfinyl-6-fluoropyridine

C12H10FNOS — CID 164668187

IUPAC2-benzylsulfinyl-6-fluoropyridine
SMILESO=S(Cc1ccccc1)c1cccc(F)n1
InChIInChI=1S/C12H10FNOS/c13-11-7-4-8-12(14-11)16(15)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyGMXLFQLVSCCAAJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.53
Rot. Bonds3

About 2-benzylsulfinyl-6-fluoropyridine

2-benzylsulfinyl-6-fluoropyridine (PubChem CID 164668187) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-benzylsulfinyl-6-fluoropyridine.

Molecular Properties

Compound Name2-benzylsulfinyl-6-fluoropyridine
PubChem CID164668187
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name2-benzylsulfinyl-6-fluoropyridine
SMILESO=S(Cc1ccccc1)c1cccc(F)n1
InChIInChI=1S/C12H10FNOS/c13-11-7-4-8-12(14-11)16(15)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyGMXLFQLVSCCAAJ-UHFFFAOYSA-N
XLogP2.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-6-fluoropyridine?
The IUPAC name of 2-benzylsulfinyl-6-fluoropyridine (CID 164668187) is 2-benzylsulfinyl-6-fluoropyridine.
What is the SMILES notation for 2-benzylsulfinyl-6-fluoropyridine?
The canonical SMILES for 2-benzylsulfinyl-6-fluoropyridine is O=S(Cc1ccccc1)c1cccc(F)n1.
What is the InChIKey of 2-benzylsulfinyl-6-fluoropyridine?
The InChIKey is GMXLFQLVSCCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-11-7-4-8-12(14-11)16(15)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-benzylsulfinyl-6-fluoropyridine?
2-benzylsulfinyl-6-fluoropyridine has a molecular weight of 235.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-6-fluoropyridine is sourced from PubChem (CID 164668187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).