1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

C9H9IN2O — CID 143596814

IUPAC1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N/I)n1
InChIInChI=1S/C9H9IN2O/c1-6(12-10)8-4-3-5-9(11-8)7(2)13/h3-5H,1-2H3/b12-6+
InChIKeyWAPQPTQOVSJPSX-WUXMJOGZSA-N
MW288.09 g/mol
LogP2.44
Rot. Bonds2

About 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (PubChem CID 143596814) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
PubChem CID143596814
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Name1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N/I)n1
InChIInChI=1S/C9H9IN2O/c1-6(12-10)8-4-3-5-9(11-8)7(2)13/h3-5H,1-2H3/b12-6+
InChIKeyWAPQPTQOVSJPSX-WUXMJOGZSA-N
XLogP2.44
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
CID 88957229
CID 88957229
1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone
CID 170239051
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 147119657
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (CID 143596814) is 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is CC(=O)c1cccc(/C(C)=N/I)n1.
What is the InChIKey of 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The InChIKey is WAPQPTQOVSJPSX-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H9IN2O/c1-6(12-10)8-4-3-5-9(11-8)7(2)13/h3-5H,1-2H3/b12-6+.
What are the key properties of 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone has a molecular weight of 288.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 143596814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).