2,6-Dichloro-3,4-pyridinediamine

C₅H₅Cl₂N₃CAS 101079-63-4178.02 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₅Cl₂N₃
Molar mass: 178.02 g/mol
Exact mass: 176.9861 Da
Melting point: 181–183 °C
logP: 1.55Crippen estimate
Polar surface area: 64.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

101079-63-4

SMILES

Nc1cc(Cl)nc(Cl)c1N

InChIKey

HDNVWGXGFBVDKV-UHFFFAOYSA-N

InChI

InChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)

Weigh it out

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

Names and synonyms

4 names

3,4-Pyridinediamine, 2,6-dichloro-
Pyridine, 3,4-diamino-2,6-dichloro-
3,4-Diamino-2,6-dichloropyridine
2,6-Dichloropyridine-3,4-diamine

Work with 2,6-Dichloro-3,4-pyridinediamine

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

2,6-Dichloro-4-(trifluoromethyl)pyridin-3-amine175277-67-555 % similar 2,6-Dichloro-3-pyridylamine62476-56-652 % similar 3,6-Dichloropyridazin-4-amine823-58-552 % similar 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-050 % similar 2-Chloropyridine-3,4-diamine39217-08-845 % similar 6-Chloropyridine-3,4-diamine89182-17-243 % similar 4-Amino-2,6-dichloropyridine2587-02-243 % similar 2,3,4,6-Tetrachloropyridine14121-36-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-1 4,6-Dichloro-2-methyl-5-pyrimidinamine39906-04-2

Elsewhere

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