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

C6H4BrF2NO — CID 112693744

IUPAC3-bromo-1-(difluoromethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1C(F)F
InChIInChI=1S/C6H4BrF2NO/c7-4-2-1-3-10(5(4)11)6(8)9/h1-3,6H
InChIKeyAVZMVLBYVKPAAY-UHFFFAOYSA-N
MW224.00 g/mol
LogP2.01
Rot. Bonds1

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

3-bromo-1-(difluoromethyl)pyridin-2-one (PubChem CID 112693744) has the molecular formula C6H4BrF2NO and a molecular weight of 224.00 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(difluoromethyl)pyridin-2-one
PubChem CID112693744
Molecular FormulaC6H4BrF2NO
Molecular Weight224.00 g/mol
Exact Mass222.94
IUPAC Name3-bromo-1-(difluoromethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1C(F)F
InChIInChI=1S/C6H4BrF2NO/c7-4-2-1-3-10(5(4)11)6(8)9/h1-3,6H
InChIKeyAVZMVLBYVKPAAY-UHFFFAOYSA-N
XLogP2.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1-(difluoromethyl)-1,2-dihydropyridin-2-one
CID 23115994
3-Bromo-1-methyl-1,2-dihydropyridin-2-one
CID 13024025
5-Bromo-1-methylpyridin-2(1H)-one
CID 13024027
1-(Difluoromethyl)-1,2-dihydropyridin-2-one
CID 23054858
5-Bromo-1-methyl-3-(trifluoromethyl)pyridin-2(1H)-one
CID 67185916
4-Bromo-1-methylpyridin-2(1H)-one
CID 22132396
4-Bromo-1-(difluoromethyl)pyridin-2(1H)-one
CID 23115999
5-Bromo-1-(difluoromethyl)-3-methyl-1,2-dihydropyridin-2-one
CID 83133140
5-Bromo-1-(trifluoromethyl)pyridin-2-one
CID 176169542
Fluoromethyl-2(1h)-pyridone
CID 129801205
3-Bromo-1-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 177798064
1-(Trifluoromethyl)pyridin-2-one
CID 20264292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(difluoromethyl)pyridin-2-one (CID 112693744) is 3-bromo-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(difluoromethyl)pyridin-2-one is O=c1c(Br)cccn1C(F)F.
What is the InChIKey of 3-bromo-1-(difluoromethyl)pyridin-2-one?
The InChIKey is AVZMVLBYVKPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO/c7-4-2-1-3-10(5(4)11)6(8)9/h1-3,6H.
What are the key properties of 3-bromo-1-(difluoromethyl)pyridin-2-one?
3-bromo-1-(difluoromethyl)pyridin-2-one has a molecular weight of 224.00 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 112693744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).