6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine

C₆H₃BrClN₃CAS 916420-30-9232.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClN₃
Molar mass: 232.46 g/mol
Exact mass: 230.9199 Da
logP: 2.15Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

916420-30-9

SMILES

C1=C2C(=NC=NN2C=C1Br)Cl

InChIKey

YPMBNJLVUQKSTI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClN3/c7-4-1-5-6(8)9-3-10-11(5)2-4/h1-3H

Weigh it out

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

Work with 6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine

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

Methyl 4-chloropyrrolo[1,2-F][1,2,4]triazine-6-carboxylate1005196-61-148 % similar 4-Chloropyrrolo[1,2-F][1,2,4]triazine888720-29-447 % similar 6-Bromopyrrolo[1,2-F][1,2,4]triazin-4(3H)-one888721-83-346 % similar 6-Bromo-(1,2,4)triazolo(1,5-a)pyridine356560-80-044 % similar 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-539 % similar 6-Bromo-4-chloro-quinazoline38267-96-838 % similar 7-Bromo-4-chloroquinazoline573675-55-538 % similar 5-(4-Bromophenyl)-4,6-dichloropyrimidine146533-41-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-1 3-Bromo-6-chloroimidazo(1,2-b)pyridazine13526-66-4 3-Bromo-8-chloroimidazo[1,2-A]pyrazine143591-61-1 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-5 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-0 8-Bromo-6-chloroimidazo(1,2-b)pyridazine933190-51-3 3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine960613-96-1

Elsewhere

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