5-iodo-3-methoxy-1-methylpyridin-2-one

C7H8INO2 — CID 135227786

IUPAC5-iodo-3-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(I)cn(C)c1=O
InChIInChI=1S/C7H8INO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3
InChIKeyMIWIKXJNTXKPSE-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.00
Rot. Bonds1

About 5-iodo-3-methoxy-1-methylpyridin-2-one

5-iodo-3-methoxy-1-methylpyridin-2-one (PubChem CID 135227786) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 5-iodo-3-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-methoxy-1-methylpyridin-2-one
PubChem CID135227786
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name5-iodo-3-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(I)cn(C)c1=O
InChIInChI=1S/C7H8INO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3
InChIKeyMIWIKXJNTXKPSE-UHFFFAOYSA-N
XLogP1.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.00
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

5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one
CID 71737238
3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
CID 135334641
4-methoxy-1,3-dimethylpyridin-2-one
CID 15144235
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587
2-methoxycycloprop-2-en-1-one
CID 140769587
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
1,4-diiodo-2-methoxybenzene
CID 23154690
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
3-ethyl-4-methoxy-1-methylpyridin-2-one
CID 167006179
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
4-methoxy-1,3,5-trimethylpyridin-2-one
CID 123400251

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-iodo-3-methoxy-1-methylpyridin-2-one (CID 135227786) is 5-iodo-3-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-iodo-3-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-iodo-3-methoxy-1-methylpyridin-2-one is COc1cc(I)cn(C)c1=O.
What is the InChIKey of 5-iodo-3-methoxy-1-methylpyridin-2-one?
The InChIKey is MIWIKXJNTXKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3.
What are the key properties of 5-iodo-3-methoxy-1-methylpyridin-2-one?
5-iodo-3-methoxy-1-methylpyridin-2-one has a molecular weight of 265.05 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 135227786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).