5-bromo-2-(difluoromethyl)-1H-pyridin-4-one

C6H4BrF2NO — CID 130095037

IUPAC5-bromo-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1Br
InChIInChI=1S/C6H4BrF2NO/c7-3-2-10-4(6(8)9)1-5(3)11/h1-2,6H,(H,10,11)
InChIKeyFJKDLPPCOLQWNH-UHFFFAOYSA-N
MW224.00 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one

5-bromo-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130095037) has the molecular formula C6H4BrF2NO and a molecular weight of 224.00 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130095037
Molecular FormulaC6H4BrF2NO
Molecular Weight224.00 g/mol
Exact Mass222.94
IUPAC Name5-bromo-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1Br
InChIInChI=1S/C6H4BrF2NO/c7-3-2-10-4(6(8)9)1-5(3)11/h1-2,6H,(H,10,11)
InChIKeyFJKDLPPCOLQWNH-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one (CID 130095037) is 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]cc1Br.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is FJKDLPPCOLQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO/c7-3-2-10-4(6(8)9)1-5(3)11/h1-2,6H,(H,10,11).
What are the key properties of 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
5-bromo-2-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 224.00 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130095037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).