2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one

C7H3BrF5NO — CID 118997197

IUPAC2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1C(F)(F)F
InChIInChI=1S/C7H3BrF5NO/c8-5-4(7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15)
InChIKeyGXKUJHKDMQQPGN-UHFFFAOYSA-N
MW292.00 g/mol
LogP3.09
Rot. Bonds1

About 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one

2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118997197) has the molecular formula C7H3BrF5NO and a molecular weight of 292.00 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118997197
Molecular FormulaC7H3BrF5NO
Molecular Weight292.00 g/mol
Exact Mass290.93
IUPAC Name2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1C(F)(F)F
InChIInChI=1S/C7H3BrF5NO/c8-5-4(7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15)
InChIKeyGXKUJHKDMQQPGN-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 53.09
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-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (CID 118997197) is 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Br)c1C(F)(F)F.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is GXKUJHKDMQQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5NO/c8-5-4(7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 292.00 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118997197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).