Gimeracil

C₅H₄ClNO₂CAS 103766-25-2145.54 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₅H₄ClNO₂
Molar mass: 145.54 g/mol
Exact mass: 144.9931 Da
Melting point: 265–270 °C
logP: 1.15Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

103766-25-2

SMILES

Oc1cc(O)c(Cl)cn1

InChIKey

ZPLQIPFOCGIIHV-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

5 names

2(1H)-Pyridinone, 5-chloro-4-hydroxy-
5-Chloro-4-hydroxy-2(1H)-pyridinone
5-Chloro-4-hydroxy-2-pyridone
Gimestat
5-Chloro-2,4-dihydroxypyridine

Work with Gimeracil

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

2,5-Dichlorohydroquinone824-69-150 % similar 4,6-Dichlororesorcinol137-19-948 % similar 2,4,5-Trichlorophenol95-95-446 % similar 4-Bromo-2,5-dichlorophenol1940-42-740 % similar 5-Chloro-2(1H)-pyridinone4214-79-340 % similar 2,5-Dichlorophenol583-78-840 % similar 4-Chlororesorcinol95-88-540 % similar 2-Chlorophenol95-57-839 % similar

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

Same formula

5-Methyl-3-isoxazolecarbonyl chloride39499-34-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook