6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one

C6H4BrF3N2O2 — CID 131072345

IUPAC6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1cc(OC(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H4BrF3N2O2/c7-4-2(14-6(8,9)10)1-3(11)12-5(4)13/h1H,(H3,11,12,13)
InChIKeyJBYVUGBWWIYYPW-UHFFFAOYSA-N
MW273.01 g/mol
LogP1.62
Rot. Bonds1

About 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one

6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131072345) has the molecular formula C6H4BrF3N2O2 and a molecular weight of 273.01 g/mol. Its IUPAC name is 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131072345
Molecular FormulaC6H4BrF3N2O2
Molecular Weight273.01 g/mol
Exact Mass271.94
IUPAC Name6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1cc(OC(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H4BrF3N2O2/c7-4-2(14-6(8,9)10)1-3(11)12-5(4)13/h1H,(H3,11,12,13)
InChIKeyJBYVUGBWWIYYPW-UHFFFAOYSA-N
XLogP1.62
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.01
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119003872
5-amino-2-bromo-3-(trifluoromethoxy)benzaldehyde
CID 131287439
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
4-bromo-3-(bromomethyl)-5-(trifluoromethoxy)aniline
CID 131495803
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 131072345) is 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one is Nc1cc(OC(F)(F)F)c(Br)c(=O)[nH]1.
What is the InChIKey of 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JBYVUGBWWIYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O2/c7-4-2(14-6(8,9)10)1-3(11)12-5(4)13/h1H,(H3,11,12,13).
What are the key properties of 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 273.01 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131072345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).