tetradecyl pyridine-3-carboxylate

C20H33NO2 — CID 531641

IUPACtetradecyl pyridine-3-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)c1cccnc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
InChIKeyTVGLGJWCZSCAEM-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.94
Rot. Bonds14

About tetradecyl pyridine-3-carboxylate

tetradecyl pyridine-3-carboxylate (PubChem CID 531641) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is tetradecyl pyridine-3-carboxylate.

Molecular Properties

Compound Nametetradecyl pyridine-3-carboxylate
PubChem CID531641
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Nametetradecyl pyridine-3-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)c1cccnc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
InChIKeyTVGLGJWCZSCAEM-UHFFFAOYSA-N
XLogP5.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.94
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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Frequently Asked Questions

What is the IUPAC name of tetradecyl pyridine-3-carboxylate?
The IUPAC name of tetradecyl pyridine-3-carboxylate (CID 531641) is tetradecyl pyridine-3-carboxylate.
What is the SMILES notation for tetradecyl pyridine-3-carboxylate?
The canonical SMILES for tetradecyl pyridine-3-carboxylate is CCCCCCCCCCCCCCOC(=O)c1cccnc1.
What is the InChIKey of tetradecyl pyridine-3-carboxylate?
The InChIKey is TVGLGJWCZSCAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3.
What are the key properties of tetradecyl pyridine-3-carboxylate?
tetradecyl pyridine-3-carboxylate has a molecular weight of 319.49 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl pyridine-3-carboxylate is sourced from PubChem (CID 531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).