5-fluoro-3-iodo-3H-pyridin-2-one

C5H3FINO — CID 75210758

IUPAC5-fluoro-3-iodo-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1I
InChIInChI=1S/C5H3FINO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H
InChIKeyKBWAFPZXYNBCKI-UHFFFAOYSA-N
MW238.99 g/mol
LogP1.25
Rot. Bonds

About 5-fluoro-3-iodo-3H-pyridin-2-one

5-fluoro-3-iodo-3H-pyridin-2-one (PubChem CID 75210758) has the molecular formula C5H3FINO and a molecular weight of 238.99 g/mol. Its IUPAC name is 5-fluoro-3-iodo-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-iodo-3H-pyridin-2-one
PubChem CID75210758
Molecular FormulaC5H3FINO
Molecular Weight238.99 g/mol
Exact Mass238.92
IUPAC Name5-fluoro-3-iodo-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1I
InChIInChI=1S/C5H3FINO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H
InChIKeyKBWAFPZXYNBCKI-UHFFFAOYSA-N
XLogP1.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.99
LogP ≤ 51.25
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-iodo-3H-pyridin-2-one (CID 75210758) is 5-fluoro-3-iodo-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-iodo-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-iodo-3H-pyridin-2-one is O=C1N=CC(F)=CC1I.
What is the InChIKey of 5-fluoro-3-iodo-3H-pyridin-2-one?
The InChIKey is KBWAFPZXYNBCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FINO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H.
What are the key properties of 5-fluoro-3-iodo-3H-pyridin-2-one?
5-fluoro-3-iodo-3H-pyridin-2-one has a molecular weight of 238.99 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-3H-pyridin-2-one is sourced from PubChem (CID 75210758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).