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

C₇H₅N₃O₂CAS 160911-42-2163.14 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 6-Chloroimidazo[1,2-B]pyridazine-2-carboxylic acid14714-24-056 % similar 6-Chloroimidazo(1,2-a)pyridine-2-carboxylic acid182181-19-747 % similar 2-Carboxy-6-fluoroimidazo[1,2-A]pyridine367500-94-547 % similar 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid749849-14-747 % similar Dipicolinic acid499-83-246 % similar Pyridazine-3-carboxylic acid2164-61-645 % similar 7-Methyl-imidazo[1,2-A]pyridine-2-carboxylic acid80353-94-244 % 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-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2

Elsewhere

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