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

C10H13NO2 — CID 15290981

IUPAC6-butyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCCCc1ccc(C=O)c(=O)[nH]1
InChIInChI=1S/C10H13NO2/c1-2-3-4-9-6-5-8(7-12)10(13)11-9/h5-7H,2-4H2,1H3,(H,11,13)
InChIKeyWZJMYMAWNFZXJZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds4

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

6-butyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 15290981) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-butyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID15290981
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-butyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCCCc1ccc(C=O)c(=O)[nH]1
InChIInChI=1S/C10H13NO2/c1-2-3-4-9-6-5-8(7-12)10(13)11-9/h5-7H,2-4H2,1H3,(H,11,13)
InChIKeyWZJMYMAWNFZXJZ-UHFFFAOYSA-N
XLogP1.53
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 15290981) is 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde is CCCCc1ccc(C=O)c(=O)[nH]1.
What is the InChIKey of 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is WZJMYMAWNFZXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-4-9-6-5-8(7-12)10(13)11-9/h5-7H,2-4H2,1H3,(H,11,13).
What are the key properties of 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde?
6-butyl-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 15290981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).