6-Chloropyridine-3,4-diamine

C₅H₆ClN₃CAS 89182-17-2143.57 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

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89182-17-2

SMILES

C1=C(C(=CN=C1Cl)N)N

InChIKey

OQRXBXNATIHDQO-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClN3/c6-5-1-3(7)4(8)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

6-Chloro-3,4-pyridinediamine

Work with 6-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

4,6-Dichloropyridin-3-amine7321-93-968 % similar 6-Chloro-4-methyl-3-pyridinamine66909-38-463 % similar 2-Chloro-5-methyl-4-pyridinamine79055-62-263 % similar 2-Chloro-5-iodo-4-pyridinamine800402-12-463 % similar 4-Amino-5-bromo-2-chloropyridine857730-21-363 % similar 2-Chloro-5-fluoropyridin-4-amine89510-90-763 % similar 2-Chloro-5-(trifluoromethyl)-4-pyridinamine1061358-78-857 % similar 2-Chloro-5-nitropyridin-4-amine2604-39-956 % 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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