5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine

C25H37NO — CID 54099818

IUPAC5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
SMILESCCCCCCCc1ccc(CCc2ccc(OCCCCC)cc2)nc1
InChIInChI=1S/C25H37NO/c1-3-5-7-8-9-11-23-13-17-24(26-21-23)16-12-22-14-18-25(19-15-22)27-20-10-6-4-2/h13-15,17-19,21H,3-12,16,20H2,1-2H3
InChIKeyMZTLWROCLLUQCU-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.95
Rot. Bonds14

About 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine

5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine (PubChem CID 54099818) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
PubChem CID54099818
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
SMILESCCCCCCCc1ccc(CCc2ccc(OCCCCC)cc2)nc1
InChIInChI=1S/C25H37NO/c1-3-5-7-8-9-11-23-13-17-24(26-21-23)16-12-22-14-18-25(19-15-22)27-20-10-6-4-2/h13-15,17-19,21H,3-12,16,20H2,1-2H3
InChIKeyMZTLWROCLLUQCU-UHFFFAOYSA-N
XLogP6.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.95
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

5-[2-(4-heptoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-hexoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-octoxyphenyl)ethyl]pyridine
CID 158949131
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
1-hexoxy-4-pentylbenzene
CID 54277450
5-[2-(4-butoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-methoxyphenyl)ethyl]pyridine;2-hexyl-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 161275446
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-butylpyridine;5-butyl-2-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine;5-butyl-2-[2-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 161494276
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine
CID 173405194
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine?
The IUPAC name of 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine (CID 54099818) is 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine?
The canonical SMILES for 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine is CCCCCCCc1ccc(CCc2ccc(OCCCCC)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine?
The InChIKey is MZTLWROCLLUQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-3-5-7-8-9-11-23-13-17-24(26-21-23)16-12-22-14-18-25(19-15-22)27-20-10-6-4-2/h13-15,17-19,21H,3-12,16,20H2,1-2H3.
What are the key properties of 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine?
5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine has a molecular weight of 367.58 g/mol, XLogP of 6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 54099818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).