2-hexyl-5-(4-pentylphenyl)pyridine

C22H31N — CID 86160726

IUPAC2-hexyl-5-(4-pentylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCCCC)cc2)cn1
InChIInChI=1S/C22H31N/c1-3-5-7-9-11-22-17-16-21(18-23-22)20-14-12-19(13-15-20)10-8-6-4-2/h12-18H,3-11H2,1-2H3
InChIKeyUTOPDEFEKISNOU-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.60
Rot. Bonds10

About 2-hexyl-5-(4-pentylphenyl)pyridine

2-hexyl-5-(4-pentylphenyl)pyridine (PubChem CID 86160726) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-hexyl-5-(4-pentylphenyl)pyridine.

Molecular Properties

Compound Name2-hexyl-5-(4-pentylphenyl)pyridine
PubChem CID86160726
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name2-hexyl-5-(4-pentylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCCCC)cc2)cn1
InChIInChI=1S/C22H31N/c1-3-5-7-9-11-22-17-16-21(18-23-22)20-14-12-19(13-15-20)10-8-6-4-2/h12-18H,3-11H2,1-2H3
InChIKeyUTOPDEFEKISNOU-UHFFFAOYSA-N
XLogP6.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139623761
5-[3-fluoro-4-(4-pentylphenyl)phenyl]-2-octylpyridine
CID 19859739
5-[3-fluoro-4-(4-heptylphenyl)phenyl]-2-octylpyridine
CID 19859567
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-butyl-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine
CID 19859850
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 19867178
5-[4-(4-ethylphenyl)phenyl]-2-propylpyridine
CID 19859804

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-(4-pentylphenyl)pyridine?
The IUPAC name of 2-hexyl-5-(4-pentylphenyl)pyridine (CID 86160726) is 2-hexyl-5-(4-pentylphenyl)pyridine.
What is the SMILES notation for 2-hexyl-5-(4-pentylphenyl)pyridine?
The canonical SMILES for 2-hexyl-5-(4-pentylphenyl)pyridine is CCCCCCc1ccc(-c2ccc(CCCCC)cc2)cn1.
What is the InChIKey of 2-hexyl-5-(4-pentylphenyl)pyridine?
The InChIKey is UTOPDEFEKISNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-3-5-7-9-11-22-17-16-21(18-23-22)20-14-12-19(13-15-20)10-8-6-4-2/h12-18H,3-11H2,1-2H3.
What are the key properties of 2-hexyl-5-(4-pentylphenyl)pyridine?
2-hexyl-5-(4-pentylphenyl)pyridine has a molecular weight of 309.50 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-(4-pentylphenyl)pyridine is sourced from PubChem (CID 86160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).