3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one

C7H5BrF3NO — CID 169248960

IUPAC3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-3-4(7(9,10)11)2-5(8)6(13)12-3/h2H,1H3,(H,12,13)
InChIKeyHUFIOLFLYQARJP-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.46
Rot. Bonds

About 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one

3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 169248960) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID169248960
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-3-4(7(9,10)11)2-5(8)6(13)12-3/h2H,1H3,(H,12,13)
InChIKeyHUFIOLFLYQARJP-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

3-bromo-5,6-dimethyl-1H-pyridin-2-one
CID 50944339
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
6-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379056
6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 20767670
1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene
CID 143307773
1-bromo-5-iodo-2-methyl-3-(trifluoromethyl)benzene
CID 154630994
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
6-bromo-2,5-dimethyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097192
1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115946946
3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130082727
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 131847437
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one (CID 169248960) is 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one is Cc1[nH]c(=O)c(Br)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HUFIOLFLYQARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-3-4(7(9,10)11)2-5(8)6(13)12-3/h2H,1H3,(H,12,13).
What are the key properties of 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
3-bromo-6-methyl-5-(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 3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 169248960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).