5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one

C7H6BrF2NO2 — CID 118025202

IUPAC5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1OC(F)F
InChIInChI=1S/C7H6BrF2NO2/c1-3-4(8)2-11-6(12)5(3)13-7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyUEAHSDAGPFCTFG-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one

5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one (PubChem CID 118025202) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
PubChem CID118025202
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1OC(F)F
InChIInChI=1S/C7H6BrF2NO2/c1-3-4(8)2-11-6(12)5(3)13-7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyUEAHSDAGPFCTFG-UHFFFAOYSA-N
XLogP2.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one (CID 118025202) is 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one is Cc1c(Br)c[nH]c(=O)c1OC(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one?
The InChIKey is UEAHSDAGPFCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-3-4(8)2-11-6(12)5(3)13-7(9)10/h2,7H,1H3,(H,11,12).
What are the key properties of 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one?
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one has a molecular weight of 254.03 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118025202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).