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

C7H7NO2 — CID 12722462

IUPAC6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(=O)[nH]1
InChIInChI=1S/C7H7NO2/c1-5-2-3-6(4-9)7(10)8-5/h2-4H,1H3,(H,8,10)
InChIKeyDGRLFJFWFJNPDX-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.50
Rot. Bonds1

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

6-methyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 12722462) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID12722462
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(=O)[nH]1
InChIInChI=1S/C7H7NO2/c1-5-2-3-6(4-9)7(10)8-5/h2-4H,1H3,(H,8,10)
InChIKeyDGRLFJFWFJNPDX-UHFFFAOYSA-N
XLogP0.50
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 135454221
2(1H)-Pyridinone, 3,6-dimethyl-
CID 579340
2-Hydroxy-6-methylpyridine-3-carboxamide
CID 261085
1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
6-Fluoro-2-hydroxynicotinaldehyde
CID 130781615
2-(Difluoromethyl)-6-hydroxy-3-iodopyridine-5-carboxaldehyde
CID 118820794
4-Amino-6-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118828840
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-5-carboxaldehyde
CID 118842995
5-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072636
4-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072651
6-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carbaldehyde
CID 130082825
6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130097165

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 12722462) is 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde is Cc1ccc(C=O)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is DGRLFJFWFJNPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-2-3-6(4-9)7(10)8-5/h2-4H,1H3,(H,8,10).
What are the key properties of 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
6-methyl-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 12722462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).