2-oxo-1H-pyridin-3-olate

C5H4NO2- — CID 51500330

IUPAC2-oxo-1H-pyridin-3-olate
SMILESO=c1[nH]cccc1[O-]
InChIInChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)/p-1
InChIKeyGGOZGYRTNQBSSA-UHFFFAOYSA-M
MW110.09 g/mol
LogP-0.55
Rot. Bonds

About 2-oxo-1H-pyridin-3-olate

2-oxo-1H-pyridin-3-olate (PubChem CID 51500330) has the molecular formula C5H4NO2- and a molecular weight of 110.09 g/mol. Its IUPAC name is 2-oxo-1H-pyridin-3-olate.

Molecular Properties

Compound Name2-oxo-1H-pyridin-3-olate
PubChem CID51500330
Molecular FormulaC5H4NO2-
Molecular Weight110.09 g/mol
Exact Mass110.02
IUPAC Name2-oxo-1H-pyridin-3-olate
SMILESO=c1[nH]cccc1[O-]
InChIInChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)/p-1
InChIKeyGGOZGYRTNQBSSA-UHFFFAOYSA-M
XLogP-0.55
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridin-3-olate?
The IUPAC name of 2-oxo-1H-pyridin-3-olate (CID 51500330) is 2-oxo-1H-pyridin-3-olate.
What is the SMILES notation for 2-oxo-1H-pyridin-3-olate?
The canonical SMILES for 2-oxo-1H-pyridin-3-olate is O=c1[nH]cccc1[O-].
What is the InChIKey of 2-oxo-1H-pyridin-3-olate?
The InChIKey is GGOZGYRTNQBSSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)/p-1.
What are the key properties of 2-oxo-1H-pyridin-3-olate?
2-oxo-1H-pyridin-3-olate has a molecular weight of 110.09 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridin-3-olate is sourced from PubChem (CID 51500330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).