6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one

C10H5BrF3NO2 — CID 21094385

IUPAC6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c(O)c(Br)ccc2[nH]1
InChIInChI=1S/C10H5BrF3NO2/c11-5-1-2-6-8(9(5)17)4(10(12,13)14)3-7(16)15-6/h1-3,17H,(H,15,16)
InChIKeyJANBWDAFBYOJDT-UHFFFAOYSA-N
MW308.05 g/mol
LogP3.02
Rot. Bonds

About 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one

6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 21094385) has the molecular formula C10H5BrF3NO2 and a molecular weight of 308.05 g/mol. Its IUPAC name is 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID21094385
Molecular FormulaC10H5BrF3NO2
Molecular Weight308.05 g/mol
Exact Mass306.95
IUPAC Name6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c(O)c(Br)ccc2[nH]1
InChIInChI=1S/C10H5BrF3NO2/c11-5-1-2-6-8(9(5)17)4(10(12,13)14)3-7(16)15-6/h1-3,17H,(H,15,16)
InChIKeyJANBWDAFBYOJDT-UHFFFAOYSA-N
XLogP3.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.05
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
CID 15980299
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
CID 168966904
7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one
CID 10134601
1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
CID 15978852
6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 85063749
2-amino-3-bromo-6-(trifluoromethyl)phenol
CID 130691630
6-bromo-2-methyl-3-(trifluoromethyl)phenol
CID 131341136
2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one
CID 10201608
3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
CID 135431965
7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279024

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one (CID 21094385) is 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2c(O)c(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JANBWDAFBYOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO2/c11-5-1-2-6-8(9(5)17)4(10(12,13)14)3-7(16)15-6/h1-3,17H,(H,15,16).
What are the key properties of 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 308.05 g/mol, XLogP of 3.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 21094385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).