chempirical

Imidazo(1,2-b)pyridazine-2-carboxylic acid

C7H5N3O2CAS 160911-42-2163.14 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
logP
0.43Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
160911-42-2
SMILES
C1=CC2=NC(=CN2N=C1)C(=O)O
InChIKey
ONVUCPOYNIOJFY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-4-10-6(9-5)2-1-3-8-10/h1-4H,(H,11,12)

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Names and synonyms

1 names
  • Imidazo[1,2-B]pyridazine-2-carboxylic acid (9ci)

Work with Imidazo(1,2-b)pyridazine-2-carboxylic acid

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

Imidazo[1,2-A]pyridine-2-carboxylic acid64951-08-256 % similar Dipicolinic acid499-83-246 % similar 6-Chloropicolinic acid4684-94-044 % similar Picolinic acid98-98-642 % similar 2,5-Pyrazinedicarboxylic acid122-05-440 % similar 6-Hydroxypicolinic acid19621-92-240 % similar Imidazo[1,2-A]pyridine-3-carboxylic acid6200-60-840 % similar 6-Methylpicolinic acid934-60-139 % similar

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

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 2-Cyano-4-nitroaniline17420-30-3 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5 4-Amino-3-nitrobenzonitrile6393-40-4

Elsewhere

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