4-amino-6-fluoro-3-iodo-1H-pyridin-2-one

C5H4FIN2O — CID 135316027

IUPAC4-amino-6-fluoro-3-iodo-1H-pyridin-2-one
SMILESNc1cc(F)[nH]c(=O)c1I
InChIInChI=1S/C5H4FIN2O/c6-3-1-2(8)4(7)5(10)9-3/h1H,(H3,8,9,10)
InChIKeyFMCOPNTWTGOMIO-UHFFFAOYSA-N
MW254.00 g/mol
LogP0.70
Rot. Bonds

About 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one

4-amino-6-fluoro-3-iodo-1H-pyridin-2-one (PubChem CID 135316027) has the molecular formula C5H4FIN2O and a molecular weight of 254.00 g/mol. Its IUPAC name is 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-fluoro-3-iodo-1H-pyridin-2-one
PubChem CID135316027
Molecular FormulaC5H4FIN2O
Molecular Weight254.00 g/mol
Exact Mass253.94
IUPAC Name4-amino-6-fluoro-3-iodo-1H-pyridin-2-one
SMILESNc1cc(F)[nH]c(=O)c1I
InChIInChI=1S/C5H4FIN2O/c6-3-1-2(8)4(7)5(10)9-3/h1H,(H3,8,9,10)
InChIKeyFMCOPNTWTGOMIO-UHFFFAOYSA-N
XLogP0.70
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.00
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one?
The IUPAC name of 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one (CID 135316027) is 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one is Nc1cc(F)[nH]c(=O)c1I.
What is the InChIKey of 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one?
The InChIKey is FMCOPNTWTGOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FIN2O/c6-3-1-2(8)4(7)5(10)9-3/h1H,(H3,8,9,10).
What are the key properties of 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one?
4-amino-6-fluoro-3-iodo-1H-pyridin-2-one has a molecular weight of 254.00 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 135316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).