5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one

C7H10INO2 — CID 163791572

IUPAC5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NCCC=C1COCI
InChIInChI=1S/C7H10INO2/c8-5-11-4-6-2-1-3-9-7(6)10/h2H,1,3-5H2,(H,9,10)
InChIKeyMXFRLKWVXXFHDI-UHFFFAOYSA-N
MW267.07 g/mol
LogP0.84
Rot. Bonds3

About 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one

5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 163791572) has the molecular formula C7H10INO2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID163791572
Molecular FormulaC7H10INO2
Molecular Weight267.07 g/mol
Exact Mass266.98
IUPAC Name5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NCCC=C1COCI
InChIInChI=1S/C7H10INO2/c8-5-11-4-6-2-1-3-9-7(6)10/h2H,1,3-5H2,(H,9,10)
InChIKeyMXFRLKWVXXFHDI-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 50.84
H-Bond Donors ≤ 51
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 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one (CID 163791572) is 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one is O=C1NCCC=C1COCI.
What is the InChIKey of 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is MXFRLKWVXXFHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO2/c8-5-11-4-6-2-1-3-9-7(6)10/h2H,1,3-5H2,(H,9,10).
What are the key properties of 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 267.07 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethoxymethyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 163791572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).