4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one

C6H2Cl2F3NO2 — CID 130093802

IUPAC4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(OC(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H2Cl2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyJIYUOFNEPJZQIP-UHFFFAOYSA-N
MW247.99 g/mol
LogP2.58
Rot. Bonds1

About 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one

4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130093802) has the molecular formula C6H2Cl2F3NO2 and a molecular weight of 247.99 g/mol. Its IUPAC name is 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130093802
Molecular FormulaC6H2Cl2F3NO2
Molecular Weight247.99 g/mol
Exact Mass246.94
IUPAC Name4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(OC(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H2Cl2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyJIYUOFNEPJZQIP-UHFFFAOYSA-N
XLogP2.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.99
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130093802) is 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(Cl)c(OC(F)(F)F)c(Cl)[nH]1.
What is the InChIKey of 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JIYUOFNEPJZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13).
What are the key properties of 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 247.99 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130093802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).