3-bromo-1-(2,2-difluoroethyl)pyridin-2-one

C7H6BrF2NO — CID 114761220

IUPAC3-bromo-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CC(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-2-1-3-11(7(5)12)4-6(9)10/h1-3,6H,4H2
InChIKeyZWNQUIJYIFALIW-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.88
Rot. Bonds2

About 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one

3-bromo-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 114761220) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID114761220
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name3-bromo-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CC(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-2-1-3-11(7(5)12)4-6(9)10/h1-3,6H,4H2
InChIKeyZWNQUIJYIFALIW-UHFFFAOYSA-N
XLogP1.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.88
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
1-(Difluoromethyl)-1,2-dihydropyridin-2-one
CID 23054858
4-Bromo-1-(difluoromethyl)pyridin-2(1H)-one
CID 23115999
5-Bromo-1-(trifluoromethyl)pyridin-2-one
CID 176169542
3-Bromo-1-(trifluoromethyl)pyridin-2-one
CID 177798064
2-(5-Bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile
CID 14836989
2-(3-Bromo-2-oxo-1-pyridinyl)acetonitrile
CID 14836991
1-(Trifluoromethyl)pyridin-2-one
CID 20264292
5-Bromo-1-(fluoromethyl)pyridin-2-one
CID 23115962
4-Bromo-1-(2-fluoroethyl)pyridin-2(1H)-one
CID 23115984
4-Bromo-1-(2,2-difluoroethyl)pyridin-2(1H)-one
CID 23115986

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one (CID 114761220) is 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one is O=c1c(Br)cccn1CC(F)F.
What is the InChIKey of 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is ZWNQUIJYIFALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c8-5-2-1-3-11(7(5)12)4-6(9)10/h1-3,6H,4H2.
What are the key properties of 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
3-bromo-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 238.03 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 114761220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).