2-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C6H4NO4- — CID 135853911

IUPAC2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(=O)[nH]c1O
InChIInChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/p-1
InChIKeyIGCZQNUHGOYVJI-UHFFFAOYSA-M
MW154.10 g/mol
LogP-1.56
Rot. Bonds1

About 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate

2-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 135853911) has the molecular formula C6H4NO4- and a molecular weight of 154.10 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID135853911
Molecular FormulaC6H4NO4-
Molecular Weight154.10 g/mol
Exact Mass154.01
IUPAC Name2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(=O)[nH]c1O
InChIInChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/p-1
InChIKeyIGCZQNUHGOYVJI-UHFFFAOYSA-M
XLogP-1.56
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 135853911) is 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate is O=C([O-])c1ccc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IGCZQNUHGOYVJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/p-1.
What are the key properties of 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
2-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 154.10 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 135853911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).