5-(iodomethyl)-1H-pyridin-2-one

C6H6INO — CID 126675889

IUPAC5-(iodomethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CI)c[nH]1
InChIInChI=1S/C6H6INO/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyNEFOBTFWJIEITI-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.31
Rot. Bonds1

About 5-(iodomethyl)-1H-pyridin-2-one

5-(iodomethyl)-1H-pyridin-2-one (PubChem CID 126675889) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 5-(iodomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(iodomethyl)-1H-pyridin-2-one
PubChem CID126675889
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name5-(iodomethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CI)c[nH]1
InChIInChI=1S/C6H6INO/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyNEFOBTFWJIEITI-UHFFFAOYSA-N
XLogP1.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
CID 54594095
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483
5-ethyl-1H-pyridin-2-one;molecular hydrogen
CID 142493028
5-(2-chloroethyl)-1H-pyridin-2-one
CID 19781618
5-(methylsulfanylmethyl)-1H-pyridin-2-one
CID 143124265
5-prop-2-enyl-1H-pyridin-2-one
CID 142063210
2-(6-oxo-1H-pyridin-3-yl)ethanesulfonic acid
CID 19377950
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
CID 138623183
5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
CID 67817743
5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one
CID 170125068
6-oxo-1H-pyridine-3-sulfonyl iodide
CID 175697011

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(iodomethyl)-1H-pyridin-2-one (CID 126675889) is 5-(iodomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(iodomethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(iodomethyl)-1H-pyridin-2-one is O=c1ccc(CI)c[nH]1.
What is the InChIKey of 5-(iodomethyl)-1H-pyridin-2-one?
The InChIKey is NEFOBTFWJIEITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of 5-(iodomethyl)-1H-pyridin-2-one?
5-(iodomethyl)-1H-pyridin-2-one has a molecular weight of 235.02 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 126675889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).