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

C6H3BrClF2NO — CID 119031658

IUPAC5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(Br)cn1C(F)F
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H
InChIKeyWRDYMDCPCPHWFN-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.66
Rot. Bonds1

About 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one

5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one (PubChem CID 119031658) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one
PubChem CID119031658
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(Br)cn1C(F)F
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H
InChIKeyWRDYMDCPCPHWFN-UHFFFAOYSA-N
XLogP2.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one (CID 119031658) is 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one is O=c1c(Cl)cc(Br)cn1C(F)F.
What is the InChIKey of 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one?
The InChIKey is WRDYMDCPCPHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H.
What are the key properties of 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one?
5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one has a molecular weight of 258.45 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 119031658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).