2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine

C25H36FNO — CID 20679713

IUPAC2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCC)cc2)nc1F
InChIInChI=1S/C25H36FNO/c1-3-5-7-9-10-11-13-22-16-19-24(27-25(22)26)21-14-17-23(18-15-21)28-20-12-8-6-4-2/h14-19H,3-13,20H2,1-2H3
InChIKeyMINILLUGIFULGG-UHFFFAOYSA-N
MW385.57 g/mol
LogP7.75
Rot. Bonds14

About 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine

2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine (PubChem CID 20679713) has the molecular formula C25H36FNO and a molecular weight of 385.57 g/mol. Its IUPAC name is 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine.

Molecular Properties

Compound Name2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine
PubChem CID20679713
Molecular FormulaC25H36FNO
Molecular Weight385.57 g/mol
Exact Mass385.28
IUPAC Name2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCC)cc2)nc1F
InChIInChI=1S/C25H36FNO/c1-3-5-7-9-10-11-13-22-16-19-24(27-25(22)26)21-14-17-23(18-15-21)28-20-12-8-6-4-2/h14-19H,3-13,20H2,1-2H3
InChIKeyMINILLUGIFULGG-UHFFFAOYSA-N
XLogP7.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 57.75
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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Related Compounds

CP-316311
CID 9818802
2-(4-Methoxyphenyl)quinoline
CID 1481967
Pyridine, 3-ethyl-4-(1-ethylpropoxy)-6-methyl-2-(2,4,6-trimethylphenoxy)-
CID 9819381
4-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(2,6-Dimethyl-4-propylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9820041
2-(4-Ethyl-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9927970
2-Methyl-6-(3-p-tolyloxy-prop-1-ynyl)pyridine
CID 11481793
4-(1-Ethyl-propenyloxy)-3,6-dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridine
CID 18392782
2-Methyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912127
4-(Butan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912152
2,3,5-Trimethyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912198
2-[4-(Methoxymethyl)-2,6-dimethylphenoxy]-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912269

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine?
The IUPAC name of 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine (CID 20679713) is 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine.
What is the SMILES notation for 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine?
The canonical SMILES for 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine is CCCCCCCCc1ccc(-c2ccc(OCCCCCC)cc2)nc1F.
What is the InChIKey of 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine?
The InChIKey is MINILLUGIFULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO/c1-3-5-7-9-10-11-13-22-16-19-24(27-25(22)26)21-14-17-23(18-15-21)28-20-12-8-6-4-2/h14-19H,3-13,20H2,1-2H3.
What are the key properties of 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine?
2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine has a molecular weight of 385.57 g/mol, XLogP of 7.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-hexoxyphenyl)-3-octylpyridine is sourced from PubChem (CID 20679713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).