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

C6H4BrF2NO — CID 130095030

IUPAC3-bromo-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H4BrF2NO/c7-4-3(11)1-2-10-5(4)6(8)9/h1-2,6H,(H,10,11)
InChIKeyRPGUGOJOISNOHV-UHFFFAOYSA-N
MW224.00 g/mol
LogP2.08
Rot. Bonds1

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

3-bromo-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130095030) has the molecular formula C6H4BrF2NO and a molecular weight of 224.00 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130095030
Molecular FormulaC6H4BrF2NO
Molecular Weight224.00 g/mol
Exact Mass222.94
IUPAC Name3-bromo-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H4BrF2NO/c7-4-3(11)1-2-10-5(4)6(8)9/h1-2,6H,(H,10,11)
InChIKeyRPGUGOJOISNOHV-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 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one (CID 130095030) is 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is RPGUGOJOISNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO/c7-4-3(11)1-2-10-5(4)6(8)9/h1-2,6H,(H,10,11).
What are the key properties of 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one?
3-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 3-bromo-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130095030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).