2-Chloro-isonicotinic acid hydrazide

C₆H₆ClN₃OCAS 58481-04-2171.58 g/mol

Open in Covalent MOL file

Amide Aryl halide Primary amine

Properties

Molecular formula: C₆H₆ClN₃O
Molar mass: 171.58 g/mol
Exact mass: 171.0199 Da
logP: 0.34Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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

58481-04-2

SMILES

C1=CN=C(C=C1C(=O)NN)Cl

InChIKey

MZIIYNBBSHJOLD-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClN3O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Chloropyridine-4-carbohydrazide

Work with 2-Chloro-isonicotinic acid hydrazide

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

2-Chloroisonicotinamide100859-84-560 % similar 2-Cyanoisonicotinohydrazide135048-32-757 % similar Isoniazid54-85-356 % similar 2-Chloropyridine-4-carbonyl chloride65287-34-556 % similar 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-254 % similar 2-Chloroisonicotinic acid6313-54-854 % similar Terephthalic dihydrazide136-64-150 % similar 2-Bromo-1-(2-chloropyridin-4-yl)ethanone23794-16-350 % similar

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

Same formula

6-Chloropyridine-3-carbohydrazide168893-66-1 3-Amino-6-chloropyridine-2-carboxamide175358-01-7

Elsewhere

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