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

C30H46FNO — CID 15702599

IUPAC5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCCC(F)CCCc1ccc(-c2ccc(OCCCCCCC)cc2)nc1
InChIInChI=1S/C30H46FNO/c1-3-5-7-9-10-12-16-28(31)17-14-15-26-18-23-30(32-25-26)27-19-21-29(22-20-27)33-24-13-11-8-6-4-2/h18-23,25,28H,3-17,24H2,1-2H3
InChIKeyJDUUSCSXZVJTKS-UHFFFAOYSA-N
MW455.70 g/mol
LogP9.51
Rot. Bonds19

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

5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine (PubChem CID 15702599) has the molecular formula C30H46FNO and a molecular weight of 455.70 g/mol. Its IUPAC name is 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
PubChem CID15702599
Molecular FormulaC30H46FNO
Molecular Weight455.70 g/mol
Exact Mass455.36
IUPAC Name5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCCC(F)CCCc1ccc(-c2ccc(OCCCCCCC)cc2)nc1
InChIInChI=1S/C30H46FNO/c1-3-5-7-9-10-12-16-28(31)17-14-15-26-18-23-30(32-25-26)27-19-21-29(22-20-27)33-24-13-11-8-6-4-2/h18-23,25,28H,3-17,24H2,1-2H3
InChIKeyJDUUSCSXZVJTKS-UHFFFAOYSA-N
XLogP9.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.70
LogP ≤ 59.51
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-heptoxyphenyl)pyridine
CID 15702597
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-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-fluorododecyl)-2-(4-heptoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine (CID 15702599) is 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine is CCCCCCCCC(F)CCCc1ccc(-c2ccc(OCCCCCCC)cc2)nc1.
What is the InChIKey of 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine?
The InChIKey is JDUUSCSXZVJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FNO/c1-3-5-7-9-10-12-16-28(31)17-14-15-26-18-23-30(32-25-26)27-19-21-29(22-20-27)33-24-13-11-8-6-4-2/h18-23,25,28H,3-17,24H2,1-2H3.
What are the key properties of 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine?
5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine has a molecular weight of 455.70 g/mol, XLogP of 9.51, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine is sourced from PubChem (CID 15702599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).