2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde

C8H9NO2 — CID 89344150

IUPAC2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde
SMILESCc1cc(CC=O)c[nH]c1=O
InChIInChI=1S/C8H9NO2/c1-6-4-7(2-3-10)5-9-8(6)11/h3-5H,2H2,1H3,(H,9,11)
InChIKeyLTOVABIHLAJAKS-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.42
Rot. Bonds2

About 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde

2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde (PubChem CID 89344150) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde
PubChem CID89344150
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde
SMILESCc1cc(CC=O)c[nH]c1=O
InChIInChI=1S/C8H9NO2/c1-6-4-7(2-3-10)5-9-8(6)11/h3-5H,2H2,1H3,(H,9,11)
InChIKeyLTOVABIHLAJAKS-UHFFFAOYSA-N
XLogP0.42
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde (CID 89344150) is 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde is Cc1cc(CC=O)c[nH]c1=O.
What is the InChIKey of 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde?
The InChIKey is LTOVABIHLAJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-4-7(2-3-10)5-9-8(6)11/h3-5H,2H2,1H3,(H,9,11).
What are the key properties of 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde?
2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde has a molecular weight of 151.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetaldehyde is sourced from PubChem (CID 89344150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).