potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one

C5H3Cl2FKN2O+ — CID 139596617

IUPACpotassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one
SMILESNc1c(Cl)c(F)[nH]c(=O)c1Cl.[K+]
InChIInChI=1S/C5H3Cl2FN2O.K/c6-1-3(9)2(7)5(11)10-4(1)8;/h(H3,9,10,11);/q;+1
InChIKeyPMAWLRJXIBXJAZ-UHFFFAOYSA-N
MW236.09 g/mol
LogP-1.59
Rot. Bonds

About potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one

potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one (PubChem CID 139596617) has the molecular formula C5H3Cl2FKN2O+ and a molecular weight of 236.09 g/mol. Its IUPAC name is potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Namepotassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one
PubChem CID139596617
Molecular FormulaC5H3Cl2FKN2O+
Molecular Weight236.09 g/mol
Exact Mass234.92
IUPAC Namepotassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one
SMILESNc1c(Cl)c(F)[nH]c(=O)c1Cl.[K+]
InChIInChI=1S/C5H3Cl2FN2O.K/c6-1-3(9)2(7)5(11)10-4(1)8;/h(H3,9,10,11);/q;+1
InChIKeyPMAWLRJXIBXJAZ-UHFFFAOYSA-N
XLogP-1.59
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 5-1.59
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 potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one?
The IUPAC name of potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one (CID 139596617) is potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one is Nc1c(Cl)c(F)[nH]c(=O)c1Cl.[K+].
What is the InChIKey of potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one?
The InChIKey is PMAWLRJXIBXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2FN2O.K/c6-1-3(9)2(7)5(11)10-4(1)8;/h(H3,9,10,11);/q;+1.
What are the key properties of potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one?
potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one has a molecular weight of 236.09 g/mol, XLogP of -1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 139596617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).