decyl pyridine-4-carboxylate

C16H25NO2 — CID 531659

IUPACdecyl pyridine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-19-16(18)15-10-12-17-13-11-15/h10-13H,2-9,14H2,1H3
InChIKeyFCQDHSSRNVWWOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.38
Rot. Bonds10

About decyl pyridine-4-carboxylate

decyl pyridine-4-carboxylate (PubChem CID 531659) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is decyl pyridine-4-carboxylate.

Molecular Properties

Compound Namedecyl pyridine-4-carboxylate
PubChem CID531659
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namedecyl pyridine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-19-16(18)15-10-12-17-13-11-15/h10-13H,2-9,14H2,1H3
InChIKeyFCQDHSSRNVWWOE-UHFFFAOYSA-N
XLogP4.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.38
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 decyl pyridine-4-carboxylate?
The IUPAC name of decyl pyridine-4-carboxylate (CID 531659) is decyl pyridine-4-carboxylate.
What is the SMILES notation for decyl pyridine-4-carboxylate?
The canonical SMILES for decyl pyridine-4-carboxylate is CCCCCCCCCCOC(=O)c1ccncc1.
What is the InChIKey of decyl pyridine-4-carboxylate?
The InChIKey is FCQDHSSRNVWWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-19-16(18)15-10-12-17-13-11-15/h10-13H,2-9,14H2,1H3.
What are the key properties of decyl pyridine-4-carboxylate?
decyl pyridine-4-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl pyridine-4-carboxylate is sourced from PubChem (CID 531659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).