5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine

C28H43NO2 — CID 19807965

IUPAC5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(CCCOCCCC)cn2)cc1
InChIInChI=1S/C28H43NO2/c1-3-5-7-8-9-10-11-12-23-31-27-18-16-26(17-19-27)28-20-15-25(24-29-28)14-13-22-30-21-6-4-2/h15-20,24H,3-14,21-23H2,1-2H3
InChIKeyIJNHZQBRVPRUFY-UHFFFAOYSA-N
MW425.66 g/mol
LogP8.02
Rot. Bonds18

About 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine

5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine (PubChem CID 19807965) has the molecular formula C28H43NO2 and a molecular weight of 425.66 g/mol. Its IUPAC name is 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
PubChem CID19807965
Molecular FormulaC28H43NO2
Molecular Weight425.66 g/mol
Exact Mass425.33
IUPAC Name5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(CCCOCCCC)cn2)cc1
InChIInChI=1S/C28H43NO2/c1-3-5-7-8-9-10-11-12-23-31-27-18-16-26(17-19-27)28-20-15-25(24-29-28)14-13-22-30-21-6-4-2/h15-20,24H,3-14,21-23H2,1-2H3
InChIKeyIJNHZQBRVPRUFY-UHFFFAOYSA-N
XLogP8.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine
CID 19807929
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
CID 15702604
5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702597

Frequently Asked Questions

What is the IUPAC name of 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine?
The IUPAC name of 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine (CID 19807965) is 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine.
What is the SMILES notation for 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine?
The canonical SMILES for 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine is CCCCCCCCCCOc1ccc(-c2ccc(CCCOCCCC)cn2)cc1.
What is the InChIKey of 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine?
The InChIKey is IJNHZQBRVPRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO2/c1-3-5-7-8-9-10-11-12-23-31-27-18-16-26(17-19-27)28-20-15-25(24-29-28)14-13-22-30-21-6-4-2/h15-20,24H,3-14,21-23H2,1-2H3.
What are the key properties of 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine?
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine has a molecular weight of 425.66 g/mol, XLogP of 8.02, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine is sourced from PubChem (CID 19807965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).