5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one

C12H13IN2O2 — CID 163837288

IUPAC5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c[nH]c1=O.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H6INO.C6H7NO/c1-4-2-5(7)3-8-6(4)9;1-5-3-2-4-7-6(5)8/h2-3H,1H3,(H,8,9);2-4H,1H3,(H,7,8)
InChIKeyOIWFCTJWLGEXRI-UHFFFAOYSA-N
MW344.15 g/mol
LogP1.97
Rot. Bonds

About 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one

5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one (PubChem CID 163837288) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one
PubChem CID163837288
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC Name5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c[nH]c1=O.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H6INO.C6H7NO/c1-4-2-5(7)3-8-6(4)9;1-5-3-2-4-7-6(5)8/h2-3H,1H3,(H,8,9);2-4H,1H3,(H,7,8)
InChIKeyOIWFCTJWLGEXRI-UHFFFAOYSA-N
XLogP1.97
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one 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

2-methylpropane;3-methyl-1H-pyridin-2-one
CID 143900479
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
3-methyl-1H-pyridin-2-one;4-phenylbutan-1-amine
CID 67909576
5-(bromomethyl)-3-methyl-1H-pyridin-2-one
CID 130935566
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 45480261
3-(3-fluoro-4-methylphenyl)-1H-pyridin-2-one
CID 53217607
3-[(2-methylphenyl)methoxy]-1H-pyridin-2-one
CID 82056015
3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
CID 83130898
5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325
4-methyl-2H-isoquinolin-1-one
CID 12695299
3-(dimethylamino)-1H-pyridin-2-one
CID 14511042
3-hydroxy-1H-pyridin-2-one;iridium
CID 175012048

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one (CID 163837288) is 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one is Cc1cc(I)c[nH]c1=O.Cc1ccc[nH]c1=O.
What is the InChIKey of 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one?
The InChIKey is OIWFCTJWLGEXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO.C6H7NO/c1-4-2-5(7)3-8-6(4)9;1-5-3-2-4-7-6(5)8/h2-3H,1H3,(H,8,9);2-4H,1H3,(H,7,8).
What are the key properties of 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one?
5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one has a molecular weight of 344.15 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-1H-pyridin-2-one;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 163837288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).