chempirical

Tyrphostin 23

C10H6N2O2CAS 118409-57-7186.17 g/mol

Open in Covalent MOL file
NNOHOH
AlkeneNitrilePhenol

Properties

Molecular formula
C10H6N2O2
Molar mass
186.17 g/mol
Exact mass
186.0429 Da
Melting point
225 °C
logP
1.53Crippen estimate
Polar surface area
88.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
118409-57-7
SMILES
N#CC(C#N)=Cc1ccc(O)c(O)c1
InChIKey
VTJXFTPMFYAJJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H

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Names and synonyms

13 names · show all
  • Propanedinitrile, 2-[(3,4-dihydroxyphenyl)methylene]-
  • Propanedinitrile, [(3,4-dihydroxyphenyl)methylene]-
  • 2-[(3,4-Dihydroxyphenyl)methylene]propanedinitrile
  • RG 50810
  • RG 50858
  • AG 18
  • AG 18 (pharmaceutical)
  • TX 825
  • Tyrphostin AG 18
  • Tyrphostin A 23
  • 2-(3,4-Dihydroxybenzylidene)malononitrile
  • (3,4-Dihydroxybenzylidene)malononitrile
  • 2-[(3,4-Dihydroxyphenyl)methylidene]propanedinitrile

Work with Tyrphostin 23

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

Tyrphostin ag 126118409-62-462 % similar 4-Hydroxybenzylidenemalononitrile3785-90-859 % similar Tyrphostin A46122520-85-859 % similar Benzylidenemalononitrile2700-22-352 % similar (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-850 % similar Protocatechuic aldehyde139-85-550 % similar 3,4-Dihydroxybenzonitrile17345-61-845 % similar 4-Vinylcatechol6053-02-745 % similar

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

Same formula

3-Cyano-1H-indole-5-carboxylic acid889942-87-4

Elsewhere

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