2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine

C27H41NO2 — CID 22445683

IUPAC2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cc2)nc1
InChIInChI=1S/C27H41NO2/c1-3-4-5-6-7-8-11-14-24-15-20-27(28-23-24)25-16-18-26(19-17-25)30-22-13-10-9-12-21-29-2/h15-20,23H,3-14,21-22H2,1-2H3
InChIKeyISDGECQSNORFBC-UHFFFAOYSA-N
MW411.63 g/mol
LogP7.63
Rot. Bonds17

About 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine

2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine (PubChem CID 22445683) has the molecular formula C27H41NO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine.

Molecular Properties

Compound Name2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
PubChem CID22445683
Molecular FormulaC27H41NO2
Molecular Weight411.63 g/mol
Exact Mass411.31
IUPAC Name2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cc2)nc1
InChIInChI=1S/C27H41NO2/c1-3-4-5-6-7-8-11-14-24-15-20-27(28-23-24)25-16-18-26(19-17-25)30-22-13-10-9-12-21-29-2/h15-20,23H,3-14,21-22H2,1-2H3
InChIKeyISDGECQSNORFBC-UHFFFAOYSA-N
XLogP7.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 57.63
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

5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine?
The IUPAC name of 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine (CID 22445683) is 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine.
What is the SMILES notation for 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine?
The canonical SMILES for 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine is CCCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cc2)nc1.
What is the InChIKey of 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine?
The InChIKey is ISDGECQSNORFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO2/c1-3-4-5-6-7-8-11-14-24-15-20-27(28-23-24)25-16-18-26(19-17-25)30-22-13-10-9-12-21-29-2/h15-20,23H,3-14,21-22H2,1-2H3.
What are the key properties of 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine?
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine has a molecular weight of 411.63 g/mol, XLogP of 7.63, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine is sourced from PubChem (CID 22445683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).