(2-oxo-1H-pyridin-4-yl) acetate

C7H7NO3 — CID 13163112

IUPAC(2-oxo-1H-pyridin-4-yl) acetate
SMILESCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C7H7NO3/c1-5(9)11-6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10)
InChIKeyMGPHSYZQLLOQKC-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.30
Rot. Bonds1

About (2-oxo-1H-pyridin-4-yl) acetate

(2-oxo-1H-pyridin-4-yl) acetate (PubChem CID 13163112) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) acetate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) acetate
PubChem CID13163112
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(2-oxo-1H-pyridin-4-yl) acetate
SMILESCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C7H7NO3/c1-5(9)11-6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10)
InChIKeyMGPHSYZQLLOQKC-UHFFFAOYSA-N
XLogP0.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) acetate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) acetate (CID 13163112) is (2-oxo-1H-pyridin-4-yl) acetate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) acetate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) acetate is CC(=O)Oc1cc[nH]c(=O)c1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) acetate?
The InChIKey is MGPHSYZQLLOQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-5(9)11-6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10).
What are the key properties of (2-oxo-1H-pyridin-4-yl) acetate?
(2-oxo-1H-pyridin-4-yl) acetate has a molecular weight of 153.14 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl) acetate is sourced from PubChem (CID 13163112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).