chempirical

Deferiprone

C7H9NO2CAS 30652-11-0139.15 g/mol

Open in Covalent MOL file
OHON
Phenol

Properties

Molecular formula
C7H9NO2
Molar mass
139.15 g/mol
Exact mass
139.0633 Da
Melting point
260–265 °C (decomposes)
pKa
3.3, 9.7
logP
0.40Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
30652-11-0
SMILES
Cc1c(O)c(=O)ccn1C
InChIKey
TZXKOCQBRNJULO-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • L 1
  • L 1 (Chelating agent)
  • 3-Hydroxy-1,2-dimethyl-4-pyridinone
  • CGP 37391
  • 1,2-Dimethyl-3-hydroxy-4(1H)-pyridinone
  • 1,2-Dimethyl-3-hydroxypyridin-4-one
  • 1,2-Dimethyl-3-hydroxypyridine-4-one
  • Deferione
  • Ferriprox
  • 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone
  • PL 1
  • APO 66
  • DN 18001AF
  • Ferinil
  • 3-Hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one
  • 4(1H)-Pyridinone, 3-hydroxy-1,2-dimethyl-
  • 4(1H)-Pyridone, 3-hydroxy-1,2-dimethyl-
  • 3-Hydroxy-1,2-dimethyl-4(1H)-pyridinone
  • 1,2-Dimethyl-3-hydroxy-4-pyridone
  • CP 20
  • CP 20 (chelating agent)
  • 3-Hydroxy-1,2-dimethyl-4-pyridone

Work with Deferiprone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Maltol118-71-839 % similar 1-Methyluracil615-77-038 % similar Ethyl maltol4940-11-833 % similar 1,3-Dimethyluracil874-14-632 % similar 4-Bromo-1-methylpyridin-2(1H)-one214342-63-932 % similar 4-Amino-1-methylpyridin-2(1H)-one952182-01-332 % similar 1-Methyl-2(1H)-pyridinone694-85-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

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