3,5-dichloro-4,6-difluoro-1H-pyridin-2-one

C5HCl2F2NO — CID 23233896

IUPAC3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C5HCl2F2NO/c6-1-3(8)2(7)5(11)10-4(1)9/h(H,10,11)
InChIKeyYUTXVCJAQKCFFV-UHFFFAOYSA-N
MW199.97 g/mol
LogP1.96
Rot. Bonds

About 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one

3,5-dichloro-4,6-difluoro-1H-pyridin-2-one (PubChem CID 23233896) has the molecular formula C5HCl2F2NO and a molecular weight of 199.97 g/mol. Its IUPAC name is 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
PubChem CID23233896
Molecular FormulaC5HCl2F2NO
Molecular Weight199.97 g/mol
Exact Mass198.94
IUPAC Name3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C5HCl2F2NO/c6-1-3(8)2(7)5(11)10-4(1)9/h(H,10,11)
InChIKeyYUTXVCJAQKCFFV-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one (CID 23233896) is 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one is O=c1[nH]c(F)c(Cl)c(F)c1Cl.
What is the InChIKey of 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one?
The InChIKey is YUTXVCJAQKCFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F2NO/c6-1-3(8)2(7)5(11)10-4(1)9/h(H,10,11).
What are the key properties of 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one?
3,5-dichloro-4,6-difluoro-1H-pyridin-2-one has a molecular weight of 199.97 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4,6-difluoro-1H-pyridin-2-one is sourced from PubChem (CID 23233896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).