5-Amino-2,3-dichloropyridine

C₅H₄Cl₂N₂CAS 98121-41-6163.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄Cl₂N₂
Molar mass: 163.00 g/mol
Exact mass: 161.9752 Da
logP: 1.97Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed95.2% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

98121-41-6

SMILES

C1=C(C=NC(=C1Cl)Cl)N

InChIKey

XTCHZNJJTQACES-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2

Weigh it out

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

Work with 5-Amino-2,3-dichloropyridine

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

5-Bromo-6-chloro-3-pyridinamine130284-53-659 % similar 6-Chloro-5-methylpyridin-3-amine38186-82-259 % similar 2,3,5-Trichloropyridine16063-70-056 % similar 3-Amino-6-chloro-5-methoxy pyridine75711-01-253 % similar 2,3-Dichloro-5-hydroxypyridine110860-92-952 % similar 2,3-Dichloro-5-fluoropyridine185985-40-452 % similar 5-Bromo-2,3-dichloropyridine97966-00-252 % similar 2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-2-pyridinamine116632-24-7 2,4-Dichloropyridin-3-amine173772-63-9 4,6-Dichloro-2-methylpyrimidine1780-26-3 2,4-Dichloro-5-methylpyrimidine1780-31-0 2-Amino-4,5-dichloropyridine188577-68-6 3,6-Dichloro-4-methylpyridazine19064-64-3 4-Amino-3,5-dichloropyridine22889-78-7 4-Amino-2,6-dichloropyridine2587-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook