3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate

C15H13F2NO3 — CID 56825937

IUPAC3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate
SMILESO=C(OCCCn1ccccc1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3/c16-12-6-5-11(10-13(12)17)15(20)21-9-3-8-18-7-2-1-4-14(18)19/h1-2,4-7,10H,3,8-9H2
InChIKeyGOPPUDUSYYXPJD-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.37
Rot. Bonds5

About 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate

3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate (PubChem CID 56825937) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate
PubChem CID56825937
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate
SMILESO=C(OCCCn1ccccc1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3/c16-12-6-5-11(10-13(12)17)15(20)21-9-3-8-18-7-2-1-4-14(18)19/h1-2,4-7,10H,3,8-9H2
InChIKeyGOPPUDUSYYXPJD-UHFFFAOYSA-N
XLogP2.37
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetradecyl 3,4-difluorobenzoate
CID 91717371
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
hept-6-ynyl 3,4-difluorobenzoate
CID 75450729
3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107666698
3-(propylamino)propyl 3,4-difluorobenzoate
CID 82532695
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
3-pyrazol-1-ylpropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 86900926
4-hydroxybutyl 3-fluoro-4-phenylbenzoate
CID 91376358
2-(butylamino)ethyl 3,4-difluorobenzoate
CID 82532364
1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 116618450
3-fluoropropyl 4-amino-3-fluorobenzoate
CID 81114032

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate?
The IUPAC name of 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate (CID 56825937) is 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate is O=C(OCCCn1ccccc1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate?
The InChIKey is GOPPUDUSYYXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-12-6-5-11(10-13(12)17)15(20)21-9-3-8-18-7-2-1-4-14(18)19/h1-2,4-7,10H,3,8-9H2.
What are the key properties of 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate?
3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate has a molecular weight of 293.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)propyl 3,4-difluorobenzoate is sourced from PubChem (CID 56825937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).