5-dodecyl-2-(4-octoxyphenyl)pyridine

C31H49NO — CID 139626618

IUPAC5-dodecyl-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(OCCCCCCCC)cc2)nc1
InChIInChI=1S/C31H49NO/c1-3-5-7-9-11-12-13-14-15-17-19-28-20-25-31(32-27-28)29-21-23-30(24-22-29)33-26-18-16-10-8-6-4-2/h20-25,27H,3-19,26H2,1-2H3
InChIKeyJQMUPSRLWOUUIM-UHFFFAOYSA-N
MW451.74 g/mol
LogP9.95
Rot. Bonds20

About 5-dodecyl-2-(4-octoxyphenyl)pyridine

5-dodecyl-2-(4-octoxyphenyl)pyridine (PubChem CID 139626618) has the molecular formula C31H49NO and a molecular weight of 451.74 g/mol. Its IUPAC name is 5-dodecyl-2-(4-octoxyphenyl)pyridine.

Molecular Properties

Compound Name5-dodecyl-2-(4-octoxyphenyl)pyridine
PubChem CID139626618
Molecular FormulaC31H49NO
Molecular Weight451.74 g/mol
Exact Mass451.38
IUPAC Name5-dodecyl-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(OCCCCCCCC)cc2)nc1
InChIInChI=1S/C31H49NO/c1-3-5-7-9-11-12-13-14-15-17-19-28-20-25-31(32-27-28)29-21-23-30(24-22-29)33-26-18-16-10-8-6-4-2/h20-25,27H,3-19,26H2,1-2H3
InChIKeyJQMUPSRLWOUUIM-UHFFFAOYSA-N
XLogP9.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.74
LogP ≤ 59.95
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

2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702606
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
CID 15702592

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-2-(4-octoxyphenyl)pyridine?
The IUPAC name of 5-dodecyl-2-(4-octoxyphenyl)pyridine (CID 139626618) is 5-dodecyl-2-(4-octoxyphenyl)pyridine.
What is the SMILES notation for 5-dodecyl-2-(4-octoxyphenyl)pyridine?
The canonical SMILES for 5-dodecyl-2-(4-octoxyphenyl)pyridine is CCCCCCCCCCCCc1ccc(-c2ccc(OCCCCCCCC)cc2)nc1.
What is the InChIKey of 5-dodecyl-2-(4-octoxyphenyl)pyridine?
The InChIKey is JQMUPSRLWOUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO/c1-3-5-7-9-11-12-13-14-15-17-19-28-20-25-31(32-27-28)29-21-23-30(24-22-29)33-26-18-16-10-8-6-4-2/h20-25,27H,3-19,26H2,1-2H3.
What are the key properties of 5-dodecyl-2-(4-octoxyphenyl)pyridine?
5-dodecyl-2-(4-octoxyphenyl)pyridine has a molecular weight of 451.74 g/mol, XLogP of 9.95, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-2-(4-octoxyphenyl)pyridine is sourced from PubChem (CID 139626618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).