4-amino-5-chloro-6-fluoro-1H-pyridin-2-one

C5H4ClFN2O — CID 77231613

IUPAC4-amino-5-chloro-6-fluoro-1H-pyridin-2-one
SMILESNc1cc(=O)[nH]c(F)c1Cl
InChIInChI=1S/C5H4ClFN2O/c6-4-2(8)1-3(10)9-5(4)7/h1H,(H3,8,9,10)
InChIKeyQVODIJLSJYUQDQ-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.75
Rot. Bonds

About 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one

4-amino-5-chloro-6-fluoro-1H-pyridin-2-one (PubChem CID 77231613) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-6-fluoro-1H-pyridin-2-one
PubChem CID77231613
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name4-amino-5-chloro-6-fluoro-1H-pyridin-2-one
SMILESNc1cc(=O)[nH]c(F)c1Cl
InChIInChI=1S/C5H4ClFN2O/c6-4-2(8)1-3(10)9-5(4)7/h1H,(H3,8,9,10)
InChIKeyQVODIJLSJYUQDQ-UHFFFAOYSA-N
XLogP0.75
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.75
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 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one (CID 77231613) is 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one is Nc1cc(=O)[nH]c(F)c1Cl.
What is the InChIKey of 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one?
The InChIKey is QVODIJLSJYUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-4-2(8)1-3(10)9-5(4)7/h1H,(H3,8,9,10).
What are the key properties of 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one?
4-amino-5-chloro-6-fluoro-1H-pyridin-2-one has a molecular weight of 162.55 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 77231613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).