5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine

C28H42FNO — CID 15702597

IUPAC5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C28H42FNO/c1-3-5-7-9-11-22-31-27-19-17-25(18-20-27)28-21-16-24(23-30-28)13-12-15-26(29)14-10-8-6-4-2/h16-21,23,26H,3-15,22H2,1-2H3
InChIKeyHEJBGEMAZTWXDJ-UHFFFAOYSA-N
MW427.65 g/mol
LogP8.73
Rot. Bonds17

About 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine

5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine (PubChem CID 15702597) has the molecular formula C28H42FNO and a molecular weight of 427.65 g/mol. Its IUPAC name is 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
PubChem CID15702597
Molecular FormulaC28H42FNO
Molecular Weight427.65 g/mol
Exact Mass427.33
IUPAC Name5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C28H42FNO/c1-3-5-7-9-11-22-31-27-19-17-25(18-20-27)28-21-16-24(23-30-28)13-12-15-26(29)14-10-8-6-4-2/h16-21,23,26H,3-15,22H2,1-2H3
InChIKeyHEJBGEMAZTWXDJ-UHFFFAOYSA-N
XLogP8.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.65
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702606
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
CID 15702604
5-(4-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702605
5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
CID 15702588
5-(4-fluoroundecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702590
5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702599
5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702589
5-(4-fluorooctyl)-2-(4-nonoxyphenyl)pyridine
CID 15702603
5-(3-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 54366455
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
CID 15702592
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine (CID 15702597) is 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine is CCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1.
What is the InChIKey of 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine?
The InChIKey is HEJBGEMAZTWXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FNO/c1-3-5-7-9-11-22-31-27-19-17-25(18-20-27)28-21-16-24(23-30-28)13-12-15-26(29)14-10-8-6-4-2/h16-21,23,26H,3-15,22H2,1-2H3.
What are the key properties of 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine?
5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine has a molecular weight of 427.65 g/mol, XLogP of 8.73, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine is sourced from PubChem (CID 15702597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).