2,6-didodecylpyridine

C29H53N — CID 90943274

IUPAC2,6-didodecylpyridine
SMILESCCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)n1
InChIInChI=1S/C29H53N/c1-3-5-7-9-11-13-15-17-19-21-24-28-26-23-27-29(30-28)25-22-20-18-16-14-12-10-8-6-4-2/h23,26-27H,3-22,24-25H2,1-2H3
InChIKeyRKEJDRTYYYULFW-UHFFFAOYSA-N
MW415.75 g/mol
LogP10.01
Rot. Bonds22

About 2,6-didodecylpyridine

2,6-didodecylpyridine (PubChem CID 90943274) has the molecular formula C29H53N and a molecular weight of 415.75 g/mol. Its IUPAC name is 2,6-didodecylpyridine.

Molecular Properties

Compound Name2,6-didodecylpyridine
PubChem CID90943274
Molecular FormulaC29H53N
Molecular Weight415.75 g/mol
Exact Mass415.42
IUPAC Name2,6-didodecylpyridine
SMILESCCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)n1
InChIInChI=1S/C29H53N/c1-3-5-7-9-11-13-15-17-19-21-24-28-26-23-27-29(30-28)25-22-20-18-16-14-12-10-8-6-4-2/h23,26-27H,3-22,24-25H2,1-2H3
InChIKeyRKEJDRTYYYULFW-UHFFFAOYSA-N
XLogP10.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dipentylpyridine
CID 58097448
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
2-chloro-6-pentylpyridine
CID 14570984
(6-butyl-2-pyridinyl)methanamine
CID 67813294
2-[3-bromo-5-(6-octyl-2-pyridinyl)phenyl]-6-octylpyridine
CID 163215048
2-undecylpyridine
CID 66882765
2-nitro-6-pentylpyridine
CID 141164963
4-methyl-2,6-dioctylpyridine
CID 66935754
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
tris(6-butyl-2-pyridinyl)phosphane
CID 54182006

Frequently Asked Questions

What is the IUPAC name of 2,6-didodecylpyridine?
The IUPAC name of 2,6-didodecylpyridine (CID 90943274) is 2,6-didodecylpyridine.
What is the SMILES notation for 2,6-didodecylpyridine?
The canonical SMILES for 2,6-didodecylpyridine is CCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)n1.
What is the InChIKey of 2,6-didodecylpyridine?
The InChIKey is RKEJDRTYYYULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53N/c1-3-5-7-9-11-13-15-17-19-21-24-28-26-23-27-29(30-28)25-22-20-18-16-14-12-10-8-6-4-2/h23,26-27H,3-22,24-25H2,1-2H3.
What are the key properties of 2,6-didodecylpyridine?
2,6-didodecylpyridine has a molecular weight of 415.75 g/mol, XLogP of 10.01, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-didodecylpyridine is sourced from PubChem (CID 90943274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).