2,7-Dihydroxy-4-trifluoromethylquinoline
Basic information
- CAS
73496-29-4- Standard SMILES
O=c1cc(C(F)(F)F)c2ccc(O)cc2[nH]1- InChIKey
XAGSNZIBWDMNBS-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO2
- Average molar mass
- 229.15 g/mol
- Monoisotopic mass
- 229.03506292
Names & identifiers
- Preferred name
- 2,7-Dihydroxy-4-trifluoromethylquinoline
- IUPAC
- 7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
- English name
- 2,7-Dihydroxy-4-trifluoromethylquinoline
- Molecular formula
- C10H6F3NO2
- Molecular weight
- 229.16
Names & synonyms
73496-29-42,7-Dihydroxy-4-trifluoromethylquinoline4-(Trifluoromethyl)quinoline-2,7-diol7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one7-hydroxy-4-(trifluoromethyl)quinolin-2(1H)-one2(1H)-Quinolinone,7-hydroxy-4-(trifluoromethyl)-Carbostyril 151SCHEMBL1042318SCHEMBL28440214SCHEMBL29724482DTXSID50419820XAGSNZIBWDMNBS-UHFFFAOYSA-N
Show more names
CARBOSTYRIL517-HYDROXY-4-TRIFLUORO-METHYLCARBOSTYRIL2(1H)-Quinolinone, 7-hydroxy-4-(trifluoromethyl)-
STK530254AKOS005463157DA-03197G86758
Database identifiers
- CAS
73496-29-4- PubChem CID
- 5393142
- DTXSID
DTXSID50419820- Nikkaji
- J1.837.660A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 347.8 · 347.8±42.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.20(Predicted)
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Compound notes
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