2-(octadecoxymethyl)pyridine

C24H43NO — CID 57025655

IUPAC2-(octadecoxymethyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCOCc1ccccn1
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKeyCIMKFNVBRHPSRA-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.86
Rot. Bonds19

About 2-(octadecoxymethyl)pyridine

2-(octadecoxymethyl)pyridine (PubChem CID 57025655) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 2-(octadecoxymethyl)pyridine.

Molecular Properties

Compound Name2-(octadecoxymethyl)pyridine
PubChem CID57025655
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name2-(octadecoxymethyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCOCc1ccccn1
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKeyCIMKFNVBRHPSRA-UHFFFAOYSA-N
XLogP7.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.86
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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Frequently Asked Questions

What is the IUPAC name of 2-(octadecoxymethyl)pyridine?
The IUPAC name of 2-(octadecoxymethyl)pyridine (CID 57025655) is 2-(octadecoxymethyl)pyridine.
What is the SMILES notation for 2-(octadecoxymethyl)pyridine?
The canonical SMILES for 2-(octadecoxymethyl)pyridine is CCCCCCCCCCCCCCCCCCOCc1ccccn1.
What is the InChIKey of 2-(octadecoxymethyl)pyridine?
The InChIKey is CIMKFNVBRHPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3.
What are the key properties of 2-(octadecoxymethyl)pyridine?
2-(octadecoxymethyl)pyridine has a molecular weight of 361.61 g/mol, XLogP of 7.86, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecoxymethyl)pyridine is sourced from PubChem (CID 57025655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).