5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine

C28H43NO — CID 14401544

IUPAC5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCCCC(C)CC)cc2)nc1
InChIInChI=1S/C28H43NO/c1-4-6-7-8-9-10-11-12-15-25-16-21-28(29-23-25)26-17-19-27(20-18-26)30-22-13-14-24(3)5-2/h16-21,23-24H,4-15,22H2,1-3H3
InChIKeyGMRHXHAYISYYNP-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.64
Rot. Bonds16

About 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine

5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine (PubChem CID 14401544) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
PubChem CID14401544
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC Name5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCCCC(C)CC)cc2)nc1
InChIInChI=1S/C28H43NO/c1-4-6-7-8-9-10-11-12-15-25-16-21-28(29-23-25)26-17-19-27(20-18-26)30-22-13-14-24(3)5-2/h16-21,23-24H,4-15,22H2,1-3H3
InChIKeyGMRHXHAYISYYNP-UHFFFAOYSA-N
XLogP8.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-heptyl-2-[4-(4-methylhexoxy)phenyl]pyrimidine
CID 14178076
5-(hexoxymethyl)-2-[4-(6-methyloctoxy)phenyl]pyridine
CID 67815414
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
CID 15702592
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine?
The IUPAC name of 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine (CID 14401544) is 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine.
What is the SMILES notation for 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine?
The canonical SMILES for 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine is CCCCCCCCCCc1ccc(-c2ccc(OCCCC(C)CC)cc2)nc1.
What is the InChIKey of 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine?
The InChIKey is GMRHXHAYISYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO/c1-4-6-7-8-9-10-11-12-15-25-16-21-28(29-23-25)26-17-19-27(20-18-26)30-22-13-14-24(3)5-2/h16-21,23-24H,4-15,22H2,1-3H3.
What are the key properties of 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine?
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine has a molecular weight of 409.66 g/mol, XLogP of 8.64, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine is sourced from PubChem (CID 14401544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).