(1,2,4)Triazolo(4,3-a)pyridine-6-carboxylic acid

C₇H₅N₃O₂CAS 933708-92-0163.14 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 swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

933708-92-0

SMILES

C1=CC2=NN=CN2C=C1C(=O)O

InChIKey

GWQOULMRAFJVRD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

[1,2,4]Triazolo[4,3-A]pyridine-6-carboxylic acid

Work with (1,2,4)Triazolo(4,3-a)pyridine-6-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-6-carboxylic acid139022-25-658 % similar 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid886362-00-148 % similar 4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-247 % similar 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-446 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-646 % similar Terephthalic acid100-21-045 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-843 % similar Pyridazine-4-carboxylic Acid50681-25-943 % 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 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 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

Elsewhere

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