2-fluoro-6-octoxypyridine

C13H20FNO — CID 19046937

IUPAC2-fluoro-6-octoxypyridine
SMILESCCCCCCCCOc1cccc(F)n1
InChIInChI=1S/C13H20FNO/c1-2-3-4-5-6-7-11-16-13-10-8-9-12(14)15-13/h8-10H,2-7,11H2,1H3
InChIKeyCIIVVXKYWLKJSQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.96
Rot. Bonds8

About 2-fluoro-6-octoxypyridine

2-fluoro-6-octoxypyridine (PubChem CID 19046937) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-fluoro-6-octoxypyridine.

Molecular Properties

Compound Name2-fluoro-6-octoxypyridine
PubChem CID19046937
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-fluoro-6-octoxypyridine
SMILESCCCCCCCCOc1cccc(F)n1
InChIInChI=1S/C13H20FNO/c1-2-3-4-5-6-7-11-16-13-10-8-9-12(14)15-13/h8-10H,2-7,11H2,1H3
InChIKeyCIIVVXKYWLKJSQ-UHFFFAOYSA-N
XLogP3.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-octoxypyridine?
The IUPAC name of 2-fluoro-6-octoxypyridine (CID 19046937) is 2-fluoro-6-octoxypyridine.
What is the SMILES notation for 2-fluoro-6-octoxypyridine?
The canonical SMILES for 2-fluoro-6-octoxypyridine is CCCCCCCCOc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-octoxypyridine?
The InChIKey is CIIVVXKYWLKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-3-4-5-6-7-11-16-13-10-8-9-12(14)15-13/h8-10H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-6-octoxypyridine?
2-fluoro-6-octoxypyridine has a molecular weight of 225.31 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-octoxypyridine is sourced from PubChem (CID 19046937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).