1,2-dihydroxy-6-oxopyridine-4-carboxylic acid

C6H5NO5 — CID 19377960

IUPAC1,2-dihydroxy-6-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(O)n(O)c(=O)c1
InChIInChI=1S/C6H5NO5/c8-4-1-3(6(10)11)2-5(9)7(4)12/h1-2,8,12H,(H,10,11)
InChIKeyBVKXWYAEPLDKAF-UHFFFAOYSA-N
MW171.11 g/mol
LogP-0.51
Rot. Bonds1

About 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid

1,2-dihydroxy-6-oxopyridine-4-carboxylic acid (PubChem CID 19377960) has the molecular formula C6H5NO5 and a molecular weight of 171.11 g/mol. Its IUPAC name is 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydroxy-6-oxopyridine-4-carboxylic acid
PubChem CID19377960
Molecular FormulaC6H5NO5
Molecular Weight171.11 g/mol
Exact Mass171.02
IUPAC Name1,2-dihydroxy-6-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(O)n(O)c(=O)c1
InChIInChI=1S/C6H5NO5/c8-4-1-3(6(10)11)2-5(9)7(4)12/h1-2,8,12H,(H,10,11)
InChIKeyBVKXWYAEPLDKAF-UHFFFAOYSA-N
XLogP-0.51
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid (CID 19377960) is 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid is O=C(O)c1cc(O)n(O)c(=O)c1.
What is the InChIKey of 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid?
The InChIKey is BVKXWYAEPLDKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO5/c8-4-1-3(6(10)11)2-5(9)7(4)12/h1-2,8,12H,(H,10,11).
What are the key properties of 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid?
1,2-dihydroxy-6-oxopyridine-4-carboxylic acid has a molecular weight of 171.11 g/mol, XLogP of -0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 19377960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).