1-(1-acetyl-2H-pyridin-6-yl)ethanone

C9H11NO2 — CID 19733602

IUPAC1-(1-acetyl-2H-pyridin-6-yl)ethanone
SMILESCC(=O)C1=CC=CCN1C(C)=O
InChIInChI=1S/C9H11NO2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-5H,6H2,1-2H3
InChIKeyYGDNZYVFTNYDJV-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.88
Rot. Bonds1

About 1-(1-acetyl-2H-pyridin-6-yl)ethanone

1-(1-acetyl-2H-pyridin-6-yl)ethanone (PubChem CID 19733602) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(1-acetyl-2H-pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2H-pyridin-6-yl)ethanone
PubChem CID19733602
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(1-acetyl-2H-pyridin-6-yl)ethanone
SMILESCC(=O)C1=CC=CCN1C(C)=O
InChIInChI=1S/C9H11NO2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-5H,6H2,1-2H3
InChIKeyYGDNZYVFTNYDJV-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-acetyl-2H-pyridin-6-yl)ethanone 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 1-(1-acetyl-2H-pyridin-6-yl)ethanone?
The IUPAC name of 1-(1-acetyl-2H-pyridin-6-yl)ethanone (CID 19733602) is 1-(1-acetyl-2H-pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-2H-pyridin-6-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-2H-pyridin-6-yl)ethanone is CC(=O)C1=CC=CCN1C(C)=O.
What is the InChIKey of 1-(1-acetyl-2H-pyridin-6-yl)ethanone?
The InChIKey is YGDNZYVFTNYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(1-acetyl-2H-pyridin-6-yl)ethanone?
1-(1-acetyl-2H-pyridin-6-yl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2H-pyridin-6-yl)ethanone is sourced from PubChem (CID 19733602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).