3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

C6H5NO4 — CID 54711677

IUPAC3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)ccc1O
InChIInChI=1S/C6H5NO4/c8-3-1-2-4(9)7-5(3)6(10)11/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyMTNSNDNZZWLYLO-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.22
Rot. Bonds1

About 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 54711677) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID54711677
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)ccc1O
InChIInChI=1S/C6H5NO4/c8-3-1-2-4(9)7-5(3)6(10)11/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyMTNSNDNZZWLYLO-UHFFFAOYSA-N
XLogP-0.22
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (CID 54711677) is 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)ccc1O.
What is the InChIKey of 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is MTNSNDNZZWLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-3-1-2-4(9)7-5(3)6(10)11/h1-2,8H,(H,7,9)(H,10,11).
What are the key properties of 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 54711677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).