5-heptyl-2-(4-octylphenyl)pyridine

C26H39N — CID 19841858

IUPAC5-heptyl-2-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(CCCCCCC)cn2)cc1
InChIInChI=1S/C26H39N/c1-3-5-7-9-11-12-14-23-16-19-25(20-17-23)26-21-18-24(22-27-26)15-13-10-8-6-4-2/h16-22H,3-15H2,1-2H3
InChIKeyOWZKWVROLSWSMV-UHFFFAOYSA-N
MW365.61 g/mol
LogP8.16
Rot. Bonds14

About 5-heptyl-2-(4-octylphenyl)pyridine

5-heptyl-2-(4-octylphenyl)pyridine (PubChem CID 19841858) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is 5-heptyl-2-(4-octylphenyl)pyridine.

Molecular Properties

Compound Name5-heptyl-2-(4-octylphenyl)pyridine
PubChem CID19841858
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC Name5-heptyl-2-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(CCCCCCC)cn2)cc1
InChIInChI=1S/C26H39N/c1-3-5-7-9-11-12-14-23-16-19-25(20-17-23)26-21-18-24(22-27-26)15-13-10-8-6-4-2/h16-22H,3-15H2,1-2H3
InChIKeyOWZKWVROLSWSMV-UHFFFAOYSA-N
XLogP8.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-heptyl-2-(4-octylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-(4-octylphenyl)pyridine?
The IUPAC name of 5-heptyl-2-(4-octylphenyl)pyridine (CID 19841858) is 5-heptyl-2-(4-octylphenyl)pyridine.
What is the SMILES notation for 5-heptyl-2-(4-octylphenyl)pyridine?
The canonical SMILES for 5-heptyl-2-(4-octylphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(CCCCCCC)cn2)cc1.
What is the InChIKey of 5-heptyl-2-(4-octylphenyl)pyridine?
The InChIKey is OWZKWVROLSWSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N/c1-3-5-7-9-11-12-14-23-16-19-25(20-17-23)26-21-18-24(22-27-26)15-13-10-8-6-4-2/h16-22H,3-15H2,1-2H3.
What are the key properties of 5-heptyl-2-(4-octylphenyl)pyridine?
5-heptyl-2-(4-octylphenyl)pyridine has a molecular weight of 365.61 g/mol, XLogP of 8.16, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-(4-octylphenyl)pyridine is sourced from PubChem (CID 19841858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).