phenyl 2-(2-oxo-1-pyridinyl)acetate

C13H11NO3 — CID 3716691

IUPACphenyl 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1ccccc1=O)Oc1ccccc1
InChIInChI=1S/C13H11NO3/c15-12-8-4-5-9-14(12)10-13(16)17-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCOWSATGBWOMSQM-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.45
Rot. Bonds3

About phenyl 2-(2-oxo-1-pyridinyl)acetate

phenyl 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 3716691) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is phenyl 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namephenyl 2-(2-oxo-1-pyridinyl)acetate
PubChem CID3716691
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namephenyl 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1ccccc1=O)Oc1ccccc1
InChIInChI=1S/C13H11NO3/c15-12-8-4-5-9-14(12)10-13(16)17-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCOWSATGBWOMSQM-UHFFFAOYSA-N
XLogP1.45
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
CID 6421270
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
benzyl 2-[[2-(2-oxo-1-pyridinyl)acetyl]amino]acetate
CID 51177215
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-oxo-1-pyridinyl)acetate
CID 8986952
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]acetic acid
CID 82897271
(2-oxo-1-pyridinyl)methyl propanoate
CID 10329950
3-oxo-3-phenoxypropanoic acid
CID 3015801
phenyl propanoate
CID 161258381

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of phenyl 2-(2-oxo-1-pyridinyl)acetate (CID 3716691) is phenyl 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for phenyl 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for phenyl 2-(2-oxo-1-pyridinyl)acetate is O=C(Cn1ccccc1=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is COWSATGBWOMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-8-4-5-9-14(12)10-13(16)17-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of phenyl 2-(2-oxo-1-pyridinyl)acetate?
phenyl 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 229.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 3716691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).