5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride

C5H6ClFN2O — CID 178200378

IUPAC5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc(=O)[nH]c1F
InChIInChI=1S/C5H5FN2O.ClH/c6-5-3(7)1-2-4(9)8-5;/h1-2H,7H2,(H,8,9);1H
InChIKeyVTQHWNSPAQHVKX-UHFFFAOYSA-N
MW164.57 g/mol
LogP0.52
Rot. Bonds

About 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride

5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride (PubChem CID 178200378) has the molecular formula C5H6ClFN2O and a molecular weight of 164.57 g/mol. Its IUPAC name is 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride
PubChem CID178200378
Molecular FormulaC5H6ClFN2O
Molecular Weight164.57 g/mol
Exact Mass164.02
IUPAC Name5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc(=O)[nH]c1F
InChIInChI=1S/C5H5FN2O.ClH/c6-5-3(7)1-2-4(9)8-5;/h1-2H,7H2,(H,8,9);1H
InChIKeyVTQHWNSPAQHVKX-UHFFFAOYSA-N
XLogP0.52
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.57
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride (CID 178200378) is 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride is Cl.Nc1ccc(=O)[nH]c1F.
What is the InChIKey of 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride?
The InChIKey is VTQHWNSPAQHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O.ClH/c6-5-3(7)1-2-4(9)8-5;/h1-2H,7H2,(H,8,9);1H.
What are the key properties of 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride?
5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride has a molecular weight of 164.57 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 178200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).