2-Chloropyridine-3,4-diamine

C₅H₆ClN₃CAS 39217-08-8143.57 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₆ClN₃
Molar mass: 143.57 g/mol
Exact mass: 143.0250 Da
logP: 0.90Crippen estimate
Polar surface area: 64.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H317 May cause an allergic skin reaction97.7% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

39217-08-8

SMILES

C1=CN=C(C(=C1N)N)Cl

InChIKey

PWOIYBVEDIFBEO-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3,4-diaminopyridine

Work with 2-Chloropyridine-3,4-diamine

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

2,4-Dichloropyridin-3-amine173772-63-963 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-959 % similar 3-Bromo-2-chloropyridin-4-amine215364-85-559 % similar 2-Chloro-3-iodopyridin-4-amine909036-46-059 % similar 3-Amino-2-chloropyridine6298-19-754 % similar 4-Amino-2-chloronicotinaldehyde338452-92-953 % similar 4-Amino-2-chloro-3-nitropyridine2789-25-553 % similar 5-Amino-4,6-dichloropyrimidine5413-85-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-methylpyrimidin-4-amine14394-56-0 2-Chloro-6-methyl-4-pyrimidinamine14394-60-6 4-Amino-2-chloro-5-methylpyrimidine14394-70-8 6-Chloro-N-methyl-3-pyridazinamine14959-32-1 6-Chloro-2-methylpyrimidin-4-amine1749-68-4 2-Chloro-4-methylpyrimidin-5-amine20090-69-1 3-Chloro-2-hydrazinylpyridine22841-92-5 4-Chloropyridine-2,3-diamine24484-98-8

Elsewhere

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