nonyl pyridine-4-carboxylate

C15H23NO2 — CID 531737

IUPACnonyl pyridine-4-carboxylate
SMILESCCCCCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-13-18-15(17)14-9-11-16-12-10-14/h9-12H,2-8,13H2,1H3
InChIKeyLNSLZFGNVRHPJG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.99
Rot. Bonds9

About nonyl pyridine-4-carboxylate

nonyl pyridine-4-carboxylate (PubChem CID 531737) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is nonyl pyridine-4-carboxylate.

Molecular Properties

Compound Namenonyl pyridine-4-carboxylate
PubChem CID531737
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namenonyl pyridine-4-carboxylate
SMILESCCCCCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-13-18-15(17)14-9-11-16-12-10-14/h9-12H,2-8,13H2,1H3
InChIKeyLNSLZFGNVRHPJG-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.99
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

undecyl pyridine-4-carboxylate
CID 531738
pentyl pyridine-4-carboxylate
CID 531655
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
4-hydroxybutyl pyridine-4-carboxylate
CID 126720845
hexadecyl 4-(4-hexadecoxycarbonylphenyl)benzoate
CID 3498087
hexyl benzoate
CID 23235
heptyl pyridine-3-carboxylate
CID 531638
tetradecyl 4-aminobenzoate
CID 66970570
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butyl benzoate;hexyl benzoate
CID 22163024

Frequently Asked Questions

What is the IUPAC name of nonyl pyridine-4-carboxylate?
The IUPAC name of nonyl pyridine-4-carboxylate (CID 531737) is nonyl pyridine-4-carboxylate.
What is the SMILES notation for nonyl pyridine-4-carboxylate?
The canonical SMILES for nonyl pyridine-4-carboxylate is CCCCCCCCCOC(=O)c1ccncc1.
What is the InChIKey of nonyl pyridine-4-carboxylate?
The InChIKey is LNSLZFGNVRHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-13-18-15(17)14-9-11-16-12-10-14/h9-12H,2-8,13H2,1H3.
What are the key properties of nonyl pyridine-4-carboxylate?
nonyl pyridine-4-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl pyridine-4-carboxylate is sourced from PubChem (CID 531737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).