2-(4-decyl-2-pyridinyl)-4-octylpyridine

C28H44N2 — CID 102418537

IUPAC2-(4-decyl-2-pyridinyl)-4-octylpyridine
SMILESCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCC)ccn2)c1
InChIInChI=1S/C28H44N2/c1-3-5-7-9-11-12-14-16-18-26-20-22-30-28(24-26)27-23-25(19-21-29-27)17-15-13-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyMJVBANICNWGOAW-UHFFFAOYSA-N
MW408.67 g/mol
LogP8.73
Rot. Bonds17

About 2-(4-decyl-2-pyridinyl)-4-octylpyridine

2-(4-decyl-2-pyridinyl)-4-octylpyridine (PubChem CID 102418537) has the molecular formula C28H44N2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 2-(4-decyl-2-pyridinyl)-4-octylpyridine.

Molecular Properties

Compound Name2-(4-decyl-2-pyridinyl)-4-octylpyridine
PubChem CID102418537
Molecular FormulaC28H44N2
Molecular Weight408.67 g/mol
Exact Mass408.35
IUPAC Name2-(4-decyl-2-pyridinyl)-4-octylpyridine
SMILESCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCC)ccn2)c1
InChIInChI=1S/C28H44N2/c1-3-5-7-9-11-12-14-16-18-26-20-22-30-28(24-26)27-23-25(19-21-29-27)17-15-13-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyMJVBANICNWGOAW-UHFFFAOYSA-N
XLogP8.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 58.73
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
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
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2-chloro-4-pentadecylpyridine
CID 174517606
2-chloro-4-hexadecylpyridine
CID 170566187
6-[2-[4-(6-sulfanylhexyl)-2-pyridinyl]-4-pyridinyl]hexane-1-thiol
CID 122371372
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-docosylpyridine-2-carboxylic acid
CID 174759337
triethoxy-[9-[2-[4-[9-(triethoxy-λ4-sulfanyl)nonyl]-2-pyridinyl]-4-pyridinyl]nonyl]-λ4-sulfane
CID 142565663

Frequently Asked Questions

What is the IUPAC name of 2-(4-decyl-2-pyridinyl)-4-octylpyridine?
The IUPAC name of 2-(4-decyl-2-pyridinyl)-4-octylpyridine (CID 102418537) is 2-(4-decyl-2-pyridinyl)-4-octylpyridine.
What is the SMILES notation for 2-(4-decyl-2-pyridinyl)-4-octylpyridine?
The canonical SMILES for 2-(4-decyl-2-pyridinyl)-4-octylpyridine is CCCCCCCCCCc1ccnc(-c2cc(CCCCCCCC)ccn2)c1.
What is the InChIKey of 2-(4-decyl-2-pyridinyl)-4-octylpyridine?
The InChIKey is MJVBANICNWGOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2/c1-3-5-7-9-11-12-14-16-18-26-20-22-30-28(24-26)27-23-25(19-21-29-27)17-15-13-10-8-6-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 2-(4-decyl-2-pyridinyl)-4-octylpyridine?
2-(4-decyl-2-pyridinyl)-4-octylpyridine has a molecular weight of 408.67 g/mol, XLogP of 8.73, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decyl-2-pyridinyl)-4-octylpyridine is sourced from PubChem (CID 102418537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).