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

C7H3BrF5NO2 — CID 118806030

IUPAC4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF5NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyKNZDUKCNRKBBCL-UHFFFAOYSA-N
MW308.00 g/mol
LogP2.97
Rot. Bonds2

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

4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118806030) has the molecular formula C7H3BrF5NO2 and a molecular weight of 308.00 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118806030
Molecular FormulaC7H3BrF5NO2
Molecular Weight308.00 g/mol
Exact Mass306.93
IUPAC Name4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF5NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyKNZDUKCNRKBBCL-UHFFFAOYSA-N
XLogP2.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 118025083
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089369
4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 118799979
4-Bromo-5-(difluoromethyl)pyridine-2,3-diol
CID 118800462
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-6-hydroxy-5-(trifluoromethoxy)nicotinoyl chloride
CID 118811675
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-Amino-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118817785
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(Difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-ol
CID 118818282
4-Fluoro-5-(difluoromethyl)-2-hydroxy-3-(trifluoromethoxy)pyridine
CID 118833182

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118806030) is 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is KNZDUKCNRKBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 308.00 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118806030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).