1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid

C7H7NO5 — CID 130407764

IUPAC1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)n1O
InChIInChI=1S/C7H7NO5/c1-3-2-4(9)6(10)5(7(11)12)8(3)13/h2,10,13H,1H3,(H,11,12)
InChIKeyWUJGHSDZXNJBNE-UHFFFAOYSA-N
MW185.13 g/mol
LogP-0.20
Rot. Bonds1

About 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid

1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid (PubChem CID 130407764) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid
PubChem CID130407764
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)n1O
InChIInChI=1S/C7H7NO5/c1-3-2-4(9)6(10)5(7(11)12)8(3)13/h2,10,13H,1H3,(H,11,12)
InChIKeyWUJGHSDZXNJBNE-UHFFFAOYSA-N
XLogP-0.20
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 5-0.20
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 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid (CID 130407764) is 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid is Cc1cc(=O)c(O)c(C(=O)O)n1O.
What is the InChIKey of 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid?
The InChIKey is WUJGHSDZXNJBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-3-2-4(9)6(10)5(7(11)12)8(3)13/h2,10,13H,1H3,(H,11,12).
What are the key properties of 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid?
1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid has a molecular weight of 185.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 130407764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).