2H-Indol-2-one, 1,3-dihydro-5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-
Basic information
- CAS
99304-31-1- Standard SMILES
O=C1Nc2ccc(Br)cc2C1(O)Cc1ccccn1- InChIKey
APILDSXOVHTVRI-UHFFFAOYSA-N- Molecular formula
- C14H11BrN2O2
- Average molar mass
- 319.15 g/mol
- Monoisotopic mass
- 318.00039
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-
- IUPAC
- 5-bromo-3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
- English name
- 5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C14H11BrN2O2
- Molecular weight
- 319.15
Names & synonyms
99304-31-13-(Pyridyl-2-methyl)-5-bromodioxindoleBRN 55716781,3-Dihydro-5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-2H-indol-2-one2H-INDOL-2-ONE, 1,3-DIHYDRO-5-BROMO-3-HYDROXY-3-(2-PYRIDINYLMETHYL)-RefChem:2687215-Bromo-3-hydroxy-3-(pyridin-2-ylmethyl)indolin-2-one5-bromo-3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one5-bromo-3-hydroxy-3-(2-pyridylmethyl)indolin-2-oneSMR000103712Maybridge1_006362Cambridge id 5664349
Show more names
5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-1,3-dihydro-2H-indol-2-one2H-Indol-2-one, 5-bromo-1,3-dihydro-3-hydroxy-3-(2-pyridinylmethyl)-
Oprea1_746768Oprea1_830650MLS000107748MLS002539926CHEMBL1533872HMS559J04DTXSID90912764HMS2487B15
Database identifiers
- CAS
99304-31-1- PubChem CID
- 57491
- DTXSID
DTXSID90912764- ChEMBL
CHEMBL1533872- Nikkaji
- J3.089.019A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 222 · 222-223 °C(Solv: ethanol (64-17-5))
- Boiling point
- 525.5 · 525.5±50.0 °C(Predicted)
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- pka
- 11.33 · 11.33±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…