1-(iodomethyl)-3-methoxypyridin-2-one

C7H8INO2 — CID 89120773

IUPAC1-(iodomethyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(CI)c1=O
InChIInChI=1S/C7H8INO2/c1-11-6-3-2-4-9(5-8)7(6)10/h2-4H,5H2,1H3
InChIKeyRNWTXCOBCANQQS-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.25
Rot. Bonds2

About 1-(iodomethyl)-3-methoxypyridin-2-one

1-(iodomethyl)-3-methoxypyridin-2-one (PubChem CID 89120773) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 1-(iodomethyl)-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-(iodomethyl)-3-methoxypyridin-2-one
PubChem CID89120773
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name1-(iodomethyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(CI)c1=O
InChIInChI=1S/C7H8INO2/c1-11-6-3-2-4-9(5-8)7(6)10/h2-4H,5H2,1H3
InChIKeyRNWTXCOBCANQQS-UHFFFAOYSA-N
XLogP1.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-methoxypyridin-2-one?
The IUPAC name of 1-(iodomethyl)-3-methoxypyridin-2-one (CID 89120773) is 1-(iodomethyl)-3-methoxypyridin-2-one.
What is the SMILES notation for 1-(iodomethyl)-3-methoxypyridin-2-one?
The canonical SMILES for 1-(iodomethyl)-3-methoxypyridin-2-one is COc1cccn(CI)c1=O.
What is the InChIKey of 1-(iodomethyl)-3-methoxypyridin-2-one?
The InChIKey is RNWTXCOBCANQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c1-11-6-3-2-4-9(5-8)7(6)10/h2-4H,5H2,1H3.
What are the key properties of 1-(iodomethyl)-3-methoxypyridin-2-one?
1-(iodomethyl)-3-methoxypyridin-2-one has a molecular weight of 265.05 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-methoxypyridin-2-one is sourced from PubChem (CID 89120773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).