2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine

C27H42N2 — CID 12820693

IUPAC2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
SMILESCCCCCCCCCCCCCCCCc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C27H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-21-29-27(23-25)26-22-24(2)18-20-28-26/h18-23H,3-17H2,1-2H3
InChIKeyFBOIXRCUCDOZFJ-UHFFFAOYSA-N
MW394.65 g/mol
LogP8.48
Rot. Bonds16

About 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine

2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine (PubChem CID 12820693) has the molecular formula C27H42N2 and a molecular weight of 394.65 g/mol. Its IUPAC name is 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
PubChem CID12820693
Molecular FormulaC27H42N2
Molecular Weight394.65 g/mol
Exact Mass394.33
IUPAC Name2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
SMILESCCCCCCCCCCCCCCCCc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C27H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-21-29-27(23-25)26-22-24(2)18-20-28-26/h18-23H,3-17H2,1-2H3
InChIKeyFBOIXRCUCDOZFJ-UHFFFAOYSA-N
XLogP8.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 58.48
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

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
bis(2-[4-(decylsulfanylmethyl)-2-pyridinyl]-4-methylpyridine);ethane;11-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]undecane-1-thiol;ruthenium(2+)
CID 158353135
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
iron(3+);tris(2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethyl)pyridine)
CID 175883888
2-chloro-4-pentadecylpyridine
CID 174517606
2-chloro-4-hexadecylpyridine
CID 170566187

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine?
The IUPAC name of 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine (CID 12820693) is 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine.
What is the SMILES notation for 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine?
The canonical SMILES for 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine is CCCCCCCCCCCCCCCCc1ccnc(-c2cc(C)ccn2)c1.
What is the InChIKey of 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine?
The InChIKey is FBOIXRCUCDOZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-21-29-27(23-25)26-22-24(2)18-20-28-26/h18-23H,3-17H2,1-2H3.
What are the key properties of 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine?
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine has a molecular weight of 394.65 g/mol, XLogP of 8.48, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine is sourced from PubChem (CID 12820693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).