pentyl pyridine-4-carboxylate

C11H15NO2 — CID 531655

IUPACpentyl pyridine-4-carboxylate
SMILESCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C11H15NO2/c1-2-3-4-9-14-11(13)10-5-7-12-8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyMZHSESFNXADKBC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.43
Rot. Bonds5

About pentyl pyridine-4-carboxylate

pentyl pyridine-4-carboxylate (PubChem CID 531655) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is pentyl pyridine-4-carboxylate.

Molecular Properties

Compound Namepentyl pyridine-4-carboxylate
PubChem CID531655
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namepentyl pyridine-4-carboxylate
SMILESCCCCCOC(=O)c1ccncc1
InChIInChI=1S/C11H15NO2/c1-2-3-4-9-14-11(13)10-5-7-12-8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyMZHSESFNXADKBC-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.43
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
nonyl pyridine-4-carboxylate
CID 531737
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
methanol;pentyl benzoate
CID 175222419
hexyl benzoate
CID 23235
3-(methylamino)propyl pyridine-4-carboxylate
CID 154943114
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
CID 68839365
heptyl pyridine-3-carboxylate
CID 531638

Frequently Asked Questions

What is the IUPAC name of pentyl pyridine-4-carboxylate?
The IUPAC name of pentyl pyridine-4-carboxylate (CID 531655) is pentyl pyridine-4-carboxylate.
What is the SMILES notation for pentyl pyridine-4-carboxylate?
The canonical SMILES for pentyl pyridine-4-carboxylate is CCCCCOC(=O)c1ccncc1.
What is the InChIKey of pentyl pyridine-4-carboxylate?
The InChIKey is MZHSESFNXADKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-4-9-14-11(13)10-5-7-12-8-6-10/h5-8H,2-4,9H2,1H3.
What are the key properties of pentyl pyridine-4-carboxylate?
pentyl pyridine-4-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl pyridine-4-carboxylate is sourced from PubChem (CID 531655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).