2-fluoro-5-hexyl-4-methoxypyridine

C12H18FNO — CID 130325062

IUPAC2-fluoro-5-hexyl-4-methoxypyridine
SMILESCCCCCCc1cnc(F)cc1OC
InChIInChI=1S/C12H18FNO/c1-3-4-5-6-7-10-9-14-12(13)8-11(10)15-2/h8-9H,3-7H2,1-2H3
InChIKeyMADOTEXZNREMNQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.35
Rot. Bonds6

About 2-fluoro-5-hexyl-4-methoxypyridine

2-fluoro-5-hexyl-4-methoxypyridine (PubChem CID 130325062) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-fluoro-5-hexyl-4-methoxypyridine.

Molecular Properties

Compound Name2-fluoro-5-hexyl-4-methoxypyridine
PubChem CID130325062
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-fluoro-5-hexyl-4-methoxypyridine
SMILESCCCCCCc1cnc(F)cc1OC
InChIInChI=1S/C12H18FNO/c1-3-4-5-6-7-10-9-14-12(13)8-11(10)15-2/h8-9H,3-7H2,1-2H3
InChIKeyMADOTEXZNREMNQ-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.35
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-5-hexyl-4-methoxypyridine?
The IUPAC name of 2-fluoro-5-hexyl-4-methoxypyridine (CID 130325062) is 2-fluoro-5-hexyl-4-methoxypyridine.
What is the SMILES notation for 2-fluoro-5-hexyl-4-methoxypyridine?
The canonical SMILES for 2-fluoro-5-hexyl-4-methoxypyridine is CCCCCCc1cnc(F)cc1OC.
What is the InChIKey of 2-fluoro-5-hexyl-4-methoxypyridine?
The InChIKey is MADOTEXZNREMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-4-5-6-7-10-9-14-12(13)8-11(10)15-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-5-hexyl-4-methoxypyridine?
2-fluoro-5-hexyl-4-methoxypyridine has a molecular weight of 211.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hexyl-4-methoxypyridine is sourced from PubChem (CID 130325062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).