2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine

C30H45NO — CID 19083555

IUPAC2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCCCCCCCC3CCCC3)cc2)nc1
InChIInChI=1S/C30H45NO/c1-2-3-4-6-10-17-27-18-23-30(31-25-27)28-19-21-29(22-20-28)32-24-13-8-5-7-9-14-26-15-11-12-16-26/h18-23,25-26H,2-17,24H2,1H3
InChIKeySXROOIFHIZEIGN-UHFFFAOYSA-N
MW435.70 g/mol
LogP9.17
Rot. Bonds16

About 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine

2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine (PubChem CID 19083555) has the molecular formula C30H45NO and a molecular weight of 435.70 g/mol. Its IUPAC name is 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine.

Molecular Properties

Compound Name2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
PubChem CID19083555
Molecular FormulaC30H45NO
Molecular Weight435.70 g/mol
Exact Mass435.35
IUPAC Name2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCCCCCCCC3CCCC3)cc2)nc1
InChIInChI=1S/C30H45NO/c1-2-3-4-6-10-17-27-18-23-30(31-25-27)28-19-21-29(22-20-28)32-24-13-8-5-7-9-14-26-15-11-12-16-26/h18-23,25-26H,2-17,24H2,1H3
InChIKeySXROOIFHIZEIGN-UHFFFAOYSA-N
XLogP9.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 59.17
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-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
CID 57192381
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine?
The IUPAC name of 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine (CID 19083555) is 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine.
What is the SMILES notation for 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine?
The canonical SMILES for 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine is CCCCCCCc1ccc(-c2ccc(OCCCCCCCC3CCCC3)cc2)nc1.
What is the InChIKey of 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine?
The InChIKey is SXROOIFHIZEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO/c1-2-3-4-6-10-17-27-18-23-30(31-25-27)28-19-21-29(22-20-28)32-24-13-8-5-7-9-14-26-15-11-12-16-26/h18-23,25-26H,2-17,24H2,1H3.
What are the key properties of 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine?
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine has a molecular weight of 435.70 g/mol, XLogP of 9.17, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine is sourced from PubChem (CID 19083555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).