5-fluoro-3-iodo-1-methylpyridin-2-one

C6H5FINO — CID 67200847

IUPAC5-fluoro-3-iodo-1-methylpyridin-2-one
SMILESCn1cc(F)cc(I)c1=O
InChIInChI=1S/C6H5FINO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyHZFZYAZASOYMPD-UHFFFAOYSA-N
MW253.01 g/mol
LogP1.13
Rot. Bonds

About 5-fluoro-3-iodo-1-methylpyridin-2-one

5-fluoro-3-iodo-1-methylpyridin-2-one (PubChem CID 67200847) has the molecular formula C6H5FINO and a molecular weight of 253.01 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-iodo-1-methylpyridin-2-one
PubChem CID67200847
Molecular FormulaC6H5FINO
Molecular Weight253.01 g/mol
Exact Mass252.94
IUPAC Name5-fluoro-3-iodo-1-methylpyridin-2-one
SMILESCn1cc(F)cc(I)c1=O
InChIInChI=1S/C6H5FINO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyHZFZYAZASOYMPD-UHFFFAOYSA-N
XLogP1.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.01
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-1-methylpyridin-2-one?
The IUPAC name of 5-fluoro-3-iodo-1-methylpyridin-2-one (CID 67200847) is 5-fluoro-3-iodo-1-methylpyridin-2-one.
What is the SMILES notation for 5-fluoro-3-iodo-1-methylpyridin-2-one?
The canonical SMILES for 5-fluoro-3-iodo-1-methylpyridin-2-one is Cn1cc(F)cc(I)c1=O.
What is the InChIKey of 5-fluoro-3-iodo-1-methylpyridin-2-one?
The InChIKey is HZFZYAZASOYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FINO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3.
What are the key properties of 5-fluoro-3-iodo-1-methylpyridin-2-one?
5-fluoro-3-iodo-1-methylpyridin-2-one has a molecular weight of 253.01 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1-methylpyridin-2-one is sourced from PubChem (CID 67200847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).