2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde

C8H9NO2 — CID 63172877

IUPAC2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde
SMILESCc1cccn(CC=O)c1=O
InChIInChI=1S/C8H9NO2/c1-7-3-2-4-9(5-6-10)8(7)11/h2-4,6H,5H2,1H3
InChIKeyUHEMQYMERONBHT-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.36
Rot. Bonds2

About 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde

2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde (PubChem CID 63172877) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde
PubChem CID63172877
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde
SMILESCc1cccn(CC=O)c1=O
InChIInChI=1S/C8H9NO2/c1-7-3-2-4-9(5-6-10)8(7)11/h2-4,6H,5H2,1H3
InChIKeyUHEMQYMERONBHT-UHFFFAOYSA-N
XLogP0.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.36
H-Bond Donors ≤ 50
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 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde?
The IUPAC name of 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde (CID 63172877) is 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde is Cc1cccn(CC=O)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde?
The InChIKey is UHEMQYMERONBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7-3-2-4-9(5-6-10)8(7)11/h2-4,6H,5H2,1H3.
What are the key properties of 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde?
2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde has a molecular weight of 151.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1-pyridinyl)acetaldehyde is sourced from PubChem (CID 63172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).