3-amino-5-fluoro-1H-pyridin-2-one

C5H5FN2O — CID 53217434

IUPAC3-amino-5-fluoro-1H-pyridin-2-one
SMILESNc1cc(F)c[nH]c1=O
InChIInChI=1S/C5H5FN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyZNMZQYAQKSDACX-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.10
Rot. Bonds

About 3-amino-5-fluoro-1H-pyridin-2-one

3-amino-5-fluoro-1H-pyridin-2-one (PubChem CID 53217434) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 3-amino-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1H-pyridin-2-one
PubChem CID53217434
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name3-amino-5-fluoro-1H-pyridin-2-one
SMILESNc1cc(F)c[nH]c1=O
InChIInChI=1S/C5H5FN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyZNMZQYAQKSDACX-UHFFFAOYSA-N
XLogP0.10
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-5-fluoro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1H-pyridin-2-one (CID 53217434) is 3-amino-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1H-pyridin-2-one is Nc1cc(F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-fluoro-1H-pyridin-2-one?
The InChIKey is ZNMZQYAQKSDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-5-fluoro-1H-pyridin-2-one?
3-amino-5-fluoro-1H-pyridin-2-one has a molecular weight of 128.11 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 53217434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).