5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

C10H7BrF3NO2 — CID 24997208

IUPAC5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
InChIKeyFZPBEJLRMYJCJV-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.18
Rot. Bonds

About 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (PubChem CID 24997208) has the molecular formula C10H7BrF3NO2 and a molecular weight of 310.07 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
PubChem CID24997208
Molecular FormulaC10H7BrF3NO2
Molecular Weight310.07 g/mol
Exact Mass308.96
IUPAC Name5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
InChIKeyFZPBEJLRMYJCJV-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (CID 24997208) is 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is CN1C(=O)C(O)(C(F)(F)F)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is FZPBEJLRMYJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3.
What are the key properties of 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 310.07 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 24997208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).