5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

C10H11BrF3NO — CID 139266743

IUPAC5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11BrF3NO/c1-6(2)4-15-5-7(11)3-8(9(15)16)10(12,13)14/h3,5-6H,4H2,1-2H3
InChIKeyRPBXLTOTTFPNQU-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 139266743) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID139266743
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11BrF3NO/c1-6(2)4-15-5-7(11)3-8(9(15)16)10(12,13)14/h3,5-6H,4H2,1-2H3
InChIKeyRPBXLTOTTFPNQU-UHFFFAOYSA-N
XLogP3.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one
CID 167764744
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 72887207
3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one
CID 105453256
3-[4-bromo-3-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395749
1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one
CID 130492576
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
4-bromo-6-(2-methylpropyl)-1H-pyrazolo[5,4-c]pyridin-7-one
CID 151537525
5-bromo-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyridin-2-one
CID 106455787
6-bromo-3-propan-2-yl-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 177304466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (CID 139266743) is 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is CC(C)Cn1cc(Br)cc(C(F)(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is RPBXLTOTTFPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(2)4-15-5-7(11)3-8(9(15)16)10(12,13)14/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 298.10 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 139266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).