5-Bromonicotinohydrazide

C₆H₆BrN₃OCAS 112193-41-6216.04 g/mol

Open in Covalent MOL file

Amide Aryl halide Primary amine

Properties

Molecular formula: C₆H₆BrN₃O
Molar mass: 216.04 g/mol
Exact mass: 214.9694 Da
logP: 0.45Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

112193-41-6

SMILES

C1=C(C=NC=C1Br)C(=O)NN

InChIKey

VERXTAUONOFMLH-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrN3O/c7-5-1-4(2-9-3-5)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

5-Bromopyridine-3-carbohydrazide

Work with 5-Bromonicotinohydrazide

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

4-Bromobenzoic acid hydrazide5933-32-458 % similar 5-Bromonicotinic acid20826-04-451 % similar 3-Acetyl-5-bromopyridine38940-62-451 % similar 5-Bromonicotinoyl chloride39620-02-551 % similar Isoniazid54-85-350 % similar Terephthalic dihydrazide136-64-148 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-547 % similar 3,5-Dibromopyridine625-92-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-bromopyridine-2-carboxamide669066-89-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook