2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine

C28H39N3 — CID 158040240

IUPAC2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
SMILESCc1ccccn1.c1ccc(CCCCCCCCCCCCc2ccccn2)nc1
InChIInChI=1S/C22H32N2.C6H7N/c1(3-5-7-9-15-21-17-11-13-19-23-21)2-4-6-8-10-16-22-18-12-14-20-24-22;1-6-4-2-3-5-7-6/h11-14,17-20H,1-10,15-16H2;2-5H,1H3
InChIKeyFIGMWQSPJYYEQN-UHFFFAOYSA-N
MW417.64 g/mol
LogP7.55
Rot. Bonds13

About 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine

2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine (PubChem CID 158040240) has the molecular formula C28H39N3 and a molecular weight of 417.64 g/mol. Its IUPAC name is 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine.

Molecular Properties

Compound Name2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
PubChem CID158040240
Molecular FormulaC28H39N3
Molecular Weight417.64 g/mol
Exact Mass417.31
IUPAC Name2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
SMILESCc1ccccn1.c1ccc(CCCCCCCCCCCCc2ccccn2)nc1
InChIInChI=1S/C22H32N2.C6H7N/c1(3-5-7-9-15-21-17-11-13-19-23-21)2-4-6-8-10-16-22-18-12-14-20-24-22;1-6-4-2-3-5-7-6/h11-14,17-20H,1-10,15-16H2;2-5H,1H3
InChIKeyFIGMWQSPJYYEQN-UHFFFAOYSA-N
XLogP7.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 57.55
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

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CID 10594187
2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
2-ethylpyridine;2-methylpyridine
CID 19020939
azanium;2-tetradecylpyridine;bromide
CID 157411341
2-(7-phenylheptyl)pyridine
CID 54510986
ethane;2-methylpyridine;pyridin-2-ylmethanamine
CID 158124738
9-pyridin-2-ylnonan-1-ol
CID 12680899
butane;2-methylpyridine;propane
CID 171077595
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine?
The IUPAC name of 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine (CID 158040240) is 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine.
What is the SMILES notation for 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine?
The canonical SMILES for 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine is Cc1ccccn1.c1ccc(CCCCCCCCCCCCc2ccccn2)nc1.
What is the InChIKey of 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine?
The InChIKey is FIGMWQSPJYYEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2.C6H7N/c1(3-5-7-9-15-21-17-11-13-19-23-21)2-4-6-8-10-16-22-18-12-14-20-24-22;1-6-4-2-3-5-7-6/h11-14,17-20H,1-10,15-16H2;2-5H,1H3.
What are the key properties of 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine?
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine has a molecular weight of 417.64 g/mol, XLogP of 7.55, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine is sourced from PubChem (CID 158040240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).