3-Pyridinecarboxamide oxime

C₆H₇N₃OCAS 1594-58-7137.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇N₃O
Molar mass: 137.14 g/mol
Exact mass: 137.0589 Da
logP: 0.18Crippen estimate
Polar surface area: 71.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Double bonds: ZE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1594-58-7

SMILES

C1=CC(=CN=C1)/C(=N/O)/N

InChIKey

AQBMQGDKWIPBRF-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)

Weigh it out

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Names and synonyms

1 names

3-Pyridylamidoxime

Work with 3-Pyridinecarboxamide oxime

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

3-Pyridinecarboxamidine23255-20-150 % similar Nicotinyl hydrazide553-53-750 % similar 3-(Trifluoromethyl)benzamidoxime40067-80-946 % similar Nicotinyl methylamide114-33-046 % similar 3-Guanylpyridine hydrochloride7356-60-746 % similar 4-Methylbenzamidoxime19227-13-546 % similar 4-Fluorobenzamidoxime22179-78-846 % similar 4-Chlorobenzamidoxime5033-28-346 % similar

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

Same formula

2-Aminopyridine-3-carboxamide13438-65-8 2-Aminoisonicotinamide13538-42-6 5-Aminopyridine-2-carboxamide145255-19-2 Picolinohydrazide1452-63-7 N-Hydroxyisonicotinamidine1594-57-6 N-Hydroxy-2-pyridinecarboximidamide1772-01-6 6-Aminonicotinamide329-89-5 3-Amino-pyridine-2-carboxylic acid amide50608-99-6

Elsewhere

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