methyl 2-(4-oxo-1-pyridinyl)acetate

C8H9NO3 — CID 15080691

IUPACmethyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-5H,6H2,1H3
InChIKeyGMQGHGOGMAJQDZ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.02
Rot. Bonds2

About methyl 2-(4-oxo-1-pyridinyl)acetate

methyl 2-(4-oxo-1-pyridinyl)acetate (PubChem CID 15080691) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 2-(4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-1-pyridinyl)acetate
PubChem CID15080691
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-5H,6H2,1H3
InChIKeyGMQGHGOGMAJQDZ-UHFFFAOYSA-N
XLogP0.02
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
CID 81297157
ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 62881182
methyl 2-(4H-pyridin-1-yl)acetate
CID 68875683
[(2R)-3,3-dimethylbutan-2-yl] 2-(4-oxo-1-pyridinyl)acetate
CID 132042545
[(1S)-1-iodoethyl] 2-(4-oxo-1-pyridinyl)acetate
CID 132050756
Methyl 2-[methyl(2-oxobut-3-enyl)amino]acetate
CID 141252253
Ethyl 2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 141433288
Ethane;propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 145068737
Ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
CID 145068804
2-(4-Oxo-1-pyridinyl)ethyl acetate
CID 153738958
Methyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684184

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-oxo-1-pyridinyl)acetate (CID 15080691) is methyl 2-(4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-oxo-1-pyridinyl)acetate is COC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of methyl 2-(4-oxo-1-pyridinyl)acetate?
The InChIKey is GMQGHGOGMAJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-oxo-1-pyridinyl)acetate?
methyl 2-(4-oxo-1-pyridinyl)acetate has a molecular weight of 167.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 15080691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).