1-(iodomethyl)-5-methylpyridin-2-one

C7H8INO — CID 148677091

IUPAC1-(iodomethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CI)c1
InChIInChI=1S/C7H8INO/c1-6-2-3-7(10)9(4-6)5-8/h2-4H,5H2,1H3
InChIKeyNQWCPABEWOUANZ-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.55
Rot. Bonds1

About 1-(iodomethyl)-5-methylpyridin-2-one

1-(iodomethyl)-5-methylpyridin-2-one (PubChem CID 148677091) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-(iodomethyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(iodomethyl)-5-methylpyridin-2-one
PubChem CID148677091
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name1-(iodomethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CI)c1
InChIInChI=1S/C7H8INO/c1-6-2-3-7(10)9(4-6)5-8/h2-4H,5H2,1H3
InChIKeyNQWCPABEWOUANZ-UHFFFAOYSA-N
XLogP1.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(iodomethyl)-5-methylpyridin-2-one (CID 148677091) is 1-(iodomethyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(iodomethyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(iodomethyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CI)c1.
What is the InChIKey of 1-(iodomethyl)-5-methylpyridin-2-one?
The InChIKey is NQWCPABEWOUANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-6-2-3-7(10)9(4-6)5-8/h2-4H,5H2,1H3.
What are the key properties of 1-(iodomethyl)-5-methylpyridin-2-one?
1-(iodomethyl)-5-methylpyridin-2-one has a molecular weight of 249.05 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-5-methylpyridin-2-one is sourced from PubChem (CID 148677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).