4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine

C₆H₃Cl₂N₃CAS 115093-90-8188.01 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: 2.26Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

115093-90-8

SMILES

C1=C(C2=C(N1)N=CN=C2Cl)Cl

InChIKey

VFTPONHUNNOSKG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4,5-Dichloro-7H-pyrrolo[2,3-D]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

4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-763 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-663 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-563 % similar 4-Chloro-5-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidine1207543-16-557 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-157 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-857 % similar 4-Chloro-5-phenyl-7H-pyrrolo[2,3-D]pyrimidine208459-81-856 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 5,7-Dichloropyrazolo[1,5-A]pyrimidine57489-77-7 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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