chempirical

1H-Indazole-5-carboxaldehyde

C8H6N2OCAS 253801-04-6146.15 g/mol

Open in Covalent MOL file
ONNH
Aldehyde

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
logP
1.38Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
253801-04-6
SMILES
C1=CC2=C(C=C1C=O)C=NN2
InChIKey
YJKMYHNMBGQQQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)

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Names and synonyms

1 names
  • 1H-Indazole-5-carbaldehyde

Work with 1H-Indazole-5-carboxaldehyde

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

Indole-5-carboxaldehyde1196-69-653 % similar 1H-Indazol-5-ol15579-15-450 % similar 5-Methyl-1H-indazole1776-37-050 % similar 1H-Indazol-5-amine19335-11-650 % similar 5-Fluoro-1H-indazole348-26-550 % similar 5-Chloro-1H-indazole698-26-050 % similar 1H-Indazole-5-boronic acid338454-14-147 % similar 5-Nitroindazole5401-94-546 % similar

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

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-2 4-Cyanobenzamide3034-34-2

Elsewhere

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