4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde

C7H7NO3 — CID 135454221

IUPAC4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1cc(O)c(C=O)c(=O)[nH]1
InChIInChI=1S/C7H7NO3/c1-4-2-6(10)5(3-9)7(11)8-4/h2-3H,1H3,(H2,8,10,11)
InChIKeyZREYDDIQAZXMOD-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.20
Rot. Bonds1

About 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde

4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 135454221) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID135454221
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1cc(O)c(C=O)c(=O)[nH]1
InChIInChI=1S/C7H7NO3/c1-4-2-6(10)5(3-9)7(11)8-4/h2-3H,1H3,(H2,8,10,11)
InChIKeyZREYDDIQAZXMOD-UHFFFAOYSA-N
XLogP0.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 135454221) is 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde is Cc1cc(O)c(C=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZREYDDIQAZXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-6(10)5(3-9)7(11)8-4/h2-3H,1H3,(H2,8,10,11).
What are the key properties of 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 153.14 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 135454221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).