5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one

C15H16INO2 — CID 79785107

IUPAC5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C)cc1Cn1cc(I)c(C)cc1=O
InChIInChI=1S/C15H16INO2/c1-10-4-5-14(19-3)12(6-10)8-17-9-13(16)11(2)7-15(17)18/h4-7,9H,8H2,1-3H3
InChIKeyJOBBRDCTULBERM-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.13
Rot. Bonds3

About 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one

5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 79785107) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
PubChem CID79785107
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C)cc1Cn1cc(I)c(C)cc1=O
InChIInChI=1S/C15H16INO2/c1-10-4-5-14(19-3)12(6-10)8-17-9-13(16)11(2)7-15(17)18/h4-7,9H,8H2,1-3H3
InChIKeyJOBBRDCTULBERM-UHFFFAOYSA-N
XLogP3.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79784539
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79784796
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241
N-(2,5-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671505
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
1-[(2-methoxy-5-methylphenyl)methyl]-4-nitropyrrole-2-carboxylic acid
CID 62160472
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 115614095
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one
CID 171525332

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one (CID 79785107) is 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one is COc1ccc(C)cc1Cn1cc(I)c(C)cc1=O.
What is the InChIKey of 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is JOBBRDCTULBERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-10-4-5-14(19-3)12(6-10)8-17-9-13(16)11(2)7-15(17)18/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one?
5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 369.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79785107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).