2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one

C6H3Br2F2NO — CID 118826445

IUPAC2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1Br
InChIInChI=1S/C6H3Br2F2NO/c7-4-3(12)1-2(6(9)10)11-5(4)8/h1,6H,(H,11,12)
InChIKeyOFKCGNXVCYGUQJ-UHFFFAOYSA-N
MW302.90 g/mol
LogP2.84
Rot. Bonds1

About 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one

2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 118826445) has the molecular formula C6H3Br2F2NO and a molecular weight of 302.90 g/mol. Its IUPAC name is 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one
PubChem CID118826445
Molecular FormulaC6H3Br2F2NO
Molecular Weight302.90 g/mol
Exact Mass300.85
IUPAC Name2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1Br
InChIInChI=1S/C6H3Br2F2NO/c7-4-3(12)1-2(6(9)10)11-5(4)8/h1,6H,(H,11,12)
InChIKeyOFKCGNXVCYGUQJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.90
LogP ≤ 52.84
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 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one (CID 118826445) is 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is OFKCGNXVCYGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F2NO/c7-4-3(12)1-2(6(9)10)11-5(4)8/h1,6H,(H,11,12).
What are the key properties of 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one?
2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 302.90 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118826445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).