5-Bromo-4-chloro-2,3-pyridinediamine

C₅H₅BrClN₃CAS 1131604-99-3222.47 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₅BrClN₃
Molar mass: 222.47 g/mol
Exact mass: 220.9355 Da
Melting point: 164 °C
logP: 1.49Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic 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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1131604-99-3

SMILES

N=c1[nH]cc(Br)c(Cl)c1N

InChIKey

IWPLIMBNUFTLIL-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrClN3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)

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

Names and synonyms

2 names

2,3-Pyridinediamine, 5-bromo-4-chloro-
5-Bromo-4-chloro-pyridine-2,3-diamine

Work with 5-Bromo-4-chloro-2,3-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

5-Bromo-4-chloro-3-nitro-2-pyridinamine942947-95-750 % similar 5-Bromo-3,4-dimethyl-2-pyridinamine374537-97-043 % similar 4,6-Dibromo-2,3-dichloroaniline113571-15-641 % similar 6-Chloro-4,5-pyrimidinediamine4316-98-741 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine876343-82-738 % similar 2,6-Dibromoaniline608-30-035 % similar 2,6-Dibromo-4-chloroaniline874-17-935 % similar 4,5,6-Pyrimidinetriamine118-70-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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