5,7-Dichloropyrazolo[1,5-A]pyrimidine

C₆H₃Cl₂N₃CAS 57489-77-7188.01 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃Cl₂N₃
Molar mass: 188.01 g/mol
Exact mass: 186.9704 Da
logP: 2.04Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

57489-77-7

SMILES

C1=C2N=C(C=C(N2N=C1)Cl)Cl

InChIKey

JMTFWCYVZOFHLR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H

Weigh it out

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

Work with 5,7-Dichloropyrazolo[1,5-A]pyrimidine

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

7-Chloropyrazolo[1,5-A]pyrimidine58347-49-253 % similar 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-647 % similar 2,4,6-Trichloropyrimidine3764-01-033 % similar 2,4,6-Trichloropyridine16063-69-732 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-231 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-831 % similar Fenclorim3740-92-931 % similar 2-Amino-4-chloropyrimidine3993-78-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-8 5,7-Dichloro-1H-imidazo[4,5-b]pyridine24485-01-6 4,6-Dichloroimidazo[4,5-C]pyridine2589-12-0 5,7-Dichloro-imidazo[1,2-A]pyrimidine57473-32-2 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-4 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine90213-66-4 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine918538-05-3

Elsewhere

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