5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one

C13H12INO — CID 79777705

IUPAC5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCc1cccc(Cn2cc(I)ccc2=O)c1
InChIInChI=1S/C13H12INO/c1-10-3-2-4-11(7-10)8-15-9-12(14)5-6-13(15)16/h2-7,9H,8H2,1H3
InChIKeyHUQAWLMIWILWSU-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.81
Rot. Bonds2

About 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one

5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one (PubChem CID 79777705) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
PubChem CID79777705
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCc1cccc(Cn2cc(I)ccc2=O)c1
InChIInChI=1S/C13H12INO/c1-10-3-2-4-11(7-10)8-15-9-12(14)5-6-13(15)16/h2-7,9H,8H2,1H3
InChIKeyHUQAWLMIWILWSU-UHFFFAOYSA-N
XLogP2.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-1-[(3-methylphenyl)methyl]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

methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
N-(2,6-dimethylphenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671359
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 79787256
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
5-bromo-1-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 63778005
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 66289934
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
4-bromo-1-[(3-methylphenyl)methyl]pyrrole-2-carboxylic acid
CID 114604151
2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
CID 79398439

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one (CID 79777705) is 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one is Cc1cccc(Cn2cc(I)ccc2=O)c1.
What is the InChIKey of 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one?
The InChIKey is HUQAWLMIWILWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c1-10-3-2-4-11(7-10)8-15-9-12(14)5-6-13(15)16/h2-7,9H,8H2,1H3.
What are the key properties of 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one?
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one has a molecular weight of 325.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 79777705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).