3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one

C7H6BrF3N2O — CID 177163630

IUPAC3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(Br)c(N)c1=O
InChIInChI=1S/C7H6BrF3N2O/c1-13-4(7(9,10)11)2-3(8)5(12)6(13)14/h2H,12H2,1H3
InChIKeyCNGWGLMXSFDDBT-UHFFFAOYSA-N
MW271.04 g/mol
LogP1.75
Rot. Bonds

About 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 177163630) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID177163630
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(Br)c(N)c1=O
InChIInChI=1S/C7H6BrF3N2O/c1-13-4(7(9,10)11)2-3(8)5(12)6(13)14/h2H,12H2,1H3
InChIKeyCNGWGLMXSFDDBT-UHFFFAOYSA-N
XLogP1.75
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871635
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871946
3-Amino-5-bromo-6-fluoro-1-methylpyridin-2(1H)-one
CID 164559703
3-Amino-1-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 45792097
3-amino-5-bromo-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105511959
3-Amino-5-bromo-1-(trifluoromethyl)pyridin-2-one
CID 105511960
3-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101698
3-amino-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101704
3,4-Diamino-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 172415519
5-Amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile
CID 177163640
3-Amino-5-bromo-1-(2-fluoroethyl)pyridin-2-one
CID 179093439

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 177163630) is 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cn1c(C(F)(F)F)cc(Br)c(N)c1=O.
What is the InChIKey of 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is CNGWGLMXSFDDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c1-13-4(7(9,10)11)2-3(8)5(12)6(13)14/h2H,12H2,1H3.
What are the key properties of 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 271.04 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 177163630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).