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

C6H6INO — CID 2727059

IUPAC5-iodo-3-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H6INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChIKeySMXYHYVNDWELHQ-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.29
Rot. Bonds

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

5-iodo-3-methyl-1H-pyridin-2-one (PubChem CID 2727059) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 5-iodo-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-methyl-1H-pyridin-2-one
PubChem CID2727059
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name5-iodo-3-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H6INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChIKeySMXYHYVNDWELHQ-UHFFFAOYSA-N
XLogP1.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-3-methylpyridine
CID 70481
3,5-Diiodopyridin-2-ol
CID 293093
2-Hydroxy-5-iodopyridine
CID 459500
3-Iodopyridin-2-ol
CID 13636536
5-Bromo-2-hydroxy-3-methylpyridine
CID 285436
5-Iodo-3-(trifluoromethyl)pyridin-2-ol
CID 11522099
5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 45480261
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
3-Iodo-5-methylpyridin-2(1H)-one
CID 42553066
Methyl hydroxypyridine hydrochloride
CID 129761686
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
trifluoro-(5-methyl-6-oxo-1H-pyridin-3-yl)boranuide
CID 129950241

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-iodo-3-methyl-1H-pyridin-2-one (CID 2727059) is 5-iodo-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-iodo-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-iodo-3-methyl-1H-pyridin-2-one is Cc1cc(I)c[nH]c1=O.
What is the InChIKey of 5-iodo-3-methyl-1H-pyridin-2-one?
The InChIKey is SMXYHYVNDWELHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9).
What are the key properties of 5-iodo-3-methyl-1H-pyridin-2-one?
5-iodo-3-methyl-1H-pyridin-2-one has a molecular weight of 235.02 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 2727059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).