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

C7H5BrF3NO — CID 118024760

IUPAC5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-3-4(8)2-12-6(13)5(3)7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyYQAQMXHSDUFKOA-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.46
Rot. Bonds

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

5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118024760) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118024760
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-3-4(8)2-12-6(13)5(3)7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyYQAQMXHSDUFKOA-UHFFFAOYSA-N
XLogP2.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
4-Bromo-3,5-dimethyl-2(1H)-pyridinone
CID 67814263
5-Bromo-1-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 90025669
3,5-Dibromo-4-(trifluoromethyl)pyridin-2-ol
CID 20152366
5-Bromo-3-(difluoromethyl)pyridin-2(1H)-one
CID 67979901
4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
CID 91081042
3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 91200929
2(1H)-Pyridinone, 3-methyl-4-(trifluoromethyl)-
CID 91570070
5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one
CID 118025211
5-Bromo-4-(difluoromethyl)pyridin-2-ol
CID 118989703
5-bromo-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 140739998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118024760) is 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is Cc1c(Br)c[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YQAQMXHSDUFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-3-4(8)2-12-6(13)5(3)7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 256.02 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118024760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).