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

C6H3BrClF2NO — CID 118845250

IUPAC4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(Br)c1C(F)F
InChIInChI=1S/C6H3BrClF2NO/c7-4-2(8)1-11-6(12)3(4)5(9)10/h1,5H,(H,11,12)
InChIKeyDQDFXAOCUJHMOF-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one

4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118845250) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118845250
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(Br)c1C(F)F
InChIInChI=1S/C6H3BrClF2NO/c7-4-2(8)1-11-6(12)3(4)5(9)10/h1,5H,(H,11,12)
InChIKeyDQDFXAOCUJHMOF-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
4-Chloro-2-hydroxy-3-(trifluoromethyl)pyridine
CID 53945305
5-Bromo-3-(difluoromethyl)pyridin-2(1H)-one
CID 67979901
4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
CID 91081042
5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118024760
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156284115
4-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 118704107
4-Bromo-3-(difluoromethyl)pyridin-2-ol
CID 118800743
4-Amino-5-bromo-3-(difluoromethyl)pyridin-2-ol
CID 118806031
4-Bromo-3-(difluoromethyl)-5-iodopyridin-2-ol
CID 118812000

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (CID 118845250) is 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(Br)c1C(F)F.
What is the InChIKey of 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DQDFXAOCUJHMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-4-2(8)1-11-6(12)3(4)5(9)10/h1,5H,(H,11,12).
What are the key properties of 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.45 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118845250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).