5-ethylsulfanyl-2-fluoropyridine

C7H8FNS — CID 135283323

IUPAC5-ethylsulfanyl-2-fluoropyridine
SMILESCCSc1ccc(F)nc1
InChIInChI=1S/C7H8FNS/c1-2-10-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
InChIKeyQXLRBFJGJMRVNY-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.33
Rot. Bonds2

About 5-ethylsulfanyl-2-fluoropyridine

5-ethylsulfanyl-2-fluoropyridine (PubChem CID 135283323) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-fluoropyridine.

Molecular Properties

Compound Name5-ethylsulfanyl-2-fluoropyridine
PubChem CID135283323
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name5-ethylsulfanyl-2-fluoropyridine
SMILESCCSc1ccc(F)nc1
InChIInChI=1S/C7H8FNS/c1-2-10-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
InChIKeyQXLRBFJGJMRVNY-UHFFFAOYSA-N
XLogP2.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.33
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 5-ethylsulfanyl-2-fluoropyridine?
The IUPAC name of 5-ethylsulfanyl-2-fluoropyridine (CID 135283323) is 5-ethylsulfanyl-2-fluoropyridine.
What is the SMILES notation for 5-ethylsulfanyl-2-fluoropyridine?
The canonical SMILES for 5-ethylsulfanyl-2-fluoropyridine is CCSc1ccc(F)nc1.
What is the InChIKey of 5-ethylsulfanyl-2-fluoropyridine?
The InChIKey is QXLRBFJGJMRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-2-10-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3.
What are the key properties of 5-ethylsulfanyl-2-fluoropyridine?
5-ethylsulfanyl-2-fluoropyridine has a molecular weight of 157.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-fluoropyridine is sourced from PubChem (CID 135283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).