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

C7H7NO2 — CID 70701043

IUPAC5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c[nH]c(=O)c(C=O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-6(4-9)7(10)8-3-5/h2-4H,1H3,(H,8,10)
InChIKeyJQWYFXUXPLICMZ-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.50
Rot. Bonds1

About 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde

5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 70701043) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID70701043
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c[nH]c(=O)c(C=O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-6(4-9)7(10)8-3-5/h2-4H,1H3,(H,8,10)
InChIKeyJQWYFXUXPLICMZ-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

6-Hydroxynicotinaldehyde
CID 10866326
2-Oxo-1,2-dihydropyridine-3-carbaldehyde
CID 7062196
2-Hydroxy-4-pyridinecarboxaldehyde
CID 1512669
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
5-Bromo-2-hydroxypyridine-3-carbaldehyde
CID 72212808
6-Hydroxy-5-methylpyridine-3-carbaldehyde
CID 75176250
5-Fluoro-6-hydroxypyridine-3-carbaldehyde
CID 90191891
3-(Aminomethyl)-5-methylpyridin-2-ol
CID 62652428
a-Dihydropyridine-3,5-dicarbaldehyde
CID 88044066
5-Fluoro-2-oxo-1,2-dihydropyridine-4-carbaldehyde
CID 2762974
2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 19819669
5-Fluoro-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 55300276

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 70701043) is 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is Cc1c[nH]c(=O)c(C=O)c1.
What is the InChIKey of 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is JQWYFXUXPLICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-2-6(4-9)7(10)8-3-5/h2-4H,1H3,(H,8,10).
What are the key properties of 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
5-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 5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 70701043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).