6-Iodopyridazin-3-amine

C₄H₄IN₃CAS 187973-60-0221.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₄IN₃
Molar mass: 221.00 g/mol
Exact mass: 220.9450 Da
logP: 0.66Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

187973-60-0

SMILES

C1=CC(=NN=C1N)I

InChIKey

QHEUBRHRIJMZOR-UHFFFAOYSA-N

InChI

InChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)

Weigh it out

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

Work with 6-Iodopyridazin-3-amine

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-Chloro-6-iodopyridazine135034-10-546 % similar 6-Bromo-3-pyridazinamine88497-27-246 % similar 6-Iodopyridin-3-amine29958-12-139 % similar 6-Methoxypyridazin-3-aminehydrochloride1589503-98-938 % similar 5-Iodo-6-methyl-pyridin-2-ylamine75073-11-935 % similar 2,5-Diiodopyridine116195-81-432 % similar 2-Pyridinamine,5-fluoro-6-methyl-(9ci)110919-71-631 % similar 6-Chloro-5-methylpyridin-2-amine442129-37-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Iodo-2-pyrimidinamine1445-39-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook