chempirical

5-Br-padap

C15H17BrN4OCAS 14337-53-2349.23 g/mol

Open in Covalent MOL file
NNNBrNOH
Aryl halideAzoPhenolTertiary amine

Properties

Molecular formula
C15H17BrN4O
Molar mass
349.23 g/mol
Exact mass
348.0586 Da
Melting point
157–158 °C
logP
4.81Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
14337-53-2
SMILES
CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1
InChIKey
HNVCXDAVEHOIBP-UHFFFAOYSA-N
InChI
InChI=1S/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3

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Names and synonyms

13 names · show all
  • Phenol, 2-[2-(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)-
  • Phenol, 2-[(5-bromo-2-pyridyl)azo]-5-(diethylamino)-
  • Phenol, 2-[(5-bromo-2-pyridinyl)azo]-5-(diethylamino)-
  • 2-[2-(5-Bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
  • 2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
  • 2-(5-Bromo-2-pyridinylazo)-5-(diethylamino)phenol
  • 2-(5′-Bromo-2′-pyridylazo)-5-(diethylamino)phenol
  • 5-Bromo-PADAP
  • 5-Bromo-DEPAP
  • 2-(5-Bromo-2-pyridylazo)-5-diethylaminephenol
  • NSC 367081
  • 5-Br-DEPAP
  • 2-((5-Bromopyridin-2-yl)diazenyl)-5-(diethylamino)phenol

Work with 5-Br-padap

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

4-Bromo-N,N-diethylbenzenamine2052-06-442 % similar 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-440 % similar 4-(2-Pyridylazo)resorcinol1141-59-939 % similar 3-(Diethylamino)phenol91-68-936 % similar 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-433 % similar 2-Amino-5-bromo-3-hydroxypyridine39903-01-031 % similar 5-Bromo-2-hydroxypyridine13466-38-131 % similar 4-(2′-Thiazolylazo)resorcinol2246-46-031 % similar

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

Elsewhere

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