2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine

C8H10FNOS — CID 143840195

IUPAC2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
SMILESCSOCCc1ccnc(F)c1
InChIInChI=1S/C8H10FNOS/c1-12-11-5-3-7-2-4-10-8(9)6-7/h2,4,6H,3,5H2,1H3
InChIKeyASAJTRXCRYGULA-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.06
Rot. Bonds4

About 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine

2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine (PubChem CID 143840195) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
PubChem CID143840195
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
SMILESCSOCCc1ccnc(F)c1
InChIInChI=1S/C8H10FNOS/c1-12-11-5-3-7-2-4-10-8(9)6-7/h2,4,6H,3,5H2,1H3
InChIKeyASAJTRXCRYGULA-UHFFFAOYSA-N
XLogP2.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine?
The IUPAC name of 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine (CID 143840195) is 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine.
What is the SMILES notation for 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine?
The canonical SMILES for 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine is CSOCCc1ccnc(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine?
The InChIKey is ASAJTRXCRYGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-12-11-5-3-7-2-4-10-8(9)6-7/h2,4,6H,3,5H2,1H3.
What are the key properties of 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine?
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine has a molecular weight of 187.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine is sourced from PubChem (CID 143840195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).