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

C6H3Cl2F2NO — CID 119017161

IUPAC4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3Cl2F2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12)
InChIKeyKMKOCNCSMRJDJG-UHFFFAOYSA-N
MW214.00 g/mol
LogP2.62
Rot. Bonds1

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

4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 119017161) has the molecular formula C6H3Cl2F2NO and a molecular weight of 214.00 g/mol. Its IUPAC name is 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID119017161
Molecular FormulaC6H3Cl2F2NO
Molecular Weight214.00 g/mol
Exact Mass212.96
IUPAC Name4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3Cl2F2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12)
InChIKeyKMKOCNCSMRJDJG-UHFFFAOYSA-N
XLogP2.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 52.62
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 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one (CID 119017161) is 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one is O=c1cc(Cl)c(C(F)F)c(Cl)[nH]1.
What is the InChIKey of 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is KMKOCNCSMRJDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12).
What are the key properties of 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one?
4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 214.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119017161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).