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

C5H5IN2O — CID 112757072

IUPAC4-amino-3-iodo-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1I
InChIInChI=1S/C5H5IN2O/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H3,7,8,9)
InChIKeyHLTZAIRDRJFECF-UHFFFAOYSA-N
MW236.01 g/mol
LogP0.56
Rot. Bonds

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

4-amino-3-iodo-1H-pyridin-2-one (PubChem CID 112757072) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 4-amino-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-iodo-1H-pyridin-2-one
PubChem CID112757072
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name4-amino-3-iodo-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1I
InChIInChI=1S/C5H5IN2O/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H3,7,8,9)
InChIKeyHLTZAIRDRJFECF-UHFFFAOYSA-N
XLogP0.56
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 4-amino-3-iodo-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-iodo-1H-pyridin-2-one (CID 112757072) is 4-amino-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-iodo-1H-pyridin-2-one is Nc1cc[nH]c(=O)c1I.
What is the InChIKey of 4-amino-3-iodo-1H-pyridin-2-one?
The InChIKey is HLTZAIRDRJFECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H3,7,8,9).
What are the key properties of 4-amino-3-iodo-1H-pyridin-2-one?
4-amino-3-iodo-1H-pyridin-2-one has a molecular weight of 236.01 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 112757072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).