2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine

C24H40FNO — CID 19046978

IUPAC2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine
SMILESCCCCCCCCOc1ccc(C2CCC(CCCCC)CC2)nc1F
InChIInChI=1S/C24H40FNO/c1-3-5-7-8-9-11-19-27-23-18-17-22(26-24(23)25)21-15-13-20(14-16-21)12-10-6-4-2/h17-18,20-21H,3-16,19H2,1-2H3
InChIKeyBZURSGKTHLSVGG-UHFFFAOYSA-N
MW377.59 g/mol
LogP7.81
Rot. Bonds13

About 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine

2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine (PubChem CID 19046978) has the molecular formula C24H40FNO and a molecular weight of 377.59 g/mol. Its IUPAC name is 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine
PubChem CID19046978
Molecular FormulaC24H40FNO
Molecular Weight377.59 g/mol
Exact Mass377.31
IUPAC Name2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine
SMILESCCCCCCCCOc1ccc(C2CCC(CCCCC)CC2)nc1F
InChIInChI=1S/C24H40FNO/c1-3-5-7-8-9-11-19-27-23-18-17-22(26-24(23)25)21-15-13-20(14-16-21)12-10-6-4-2/h17-18,20-21H,3-16,19H2,1-2H3
InChIKeyBZURSGKTHLSVGG-UHFFFAOYSA-N
XLogP7.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.59
LogP ≤ 57.81
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-3-octoxy-6-(4-pentylcyclohexyl)pyridine?
The IUPAC name of 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine (CID 19046978) is 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine.
What is the SMILES notation for 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine?
The canonical SMILES for 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine is CCCCCCCCOc1ccc(C2CCC(CCCCC)CC2)nc1F.
What is the InChIKey of 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine?
The InChIKey is BZURSGKTHLSVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40FNO/c1-3-5-7-8-9-11-19-27-23-18-17-22(26-24(23)25)21-15-13-20(14-16-21)12-10-6-4-2/h17-18,20-21H,3-16,19H2,1-2H3.
What are the key properties of 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine?
2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine has a molecular weight of 377.59 g/mol, XLogP of 7.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-octoxy-6-(4-pentylcyclohexyl)pyridine is sourced from PubChem (CID 19046978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).