2-Chloro-5H-pyrrolo[3,2-D]pyrimidine

C6H4ClN3CAS 1119280-66-8153.57 g/mol

Open in Covalent MOL file
HNNNCl
Aryl halide

Properties

Molecular formula
C6H4ClN3
Molar mass
153.57 g/mol
Exact mass
153.0094 Da
logP
1.61Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1119280-66-8
SMILES
C1=CNC2=CN=C(N=C21)Cl
InChIKey
LWPPASWKWXDDFK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-6-9-3-5-4(10-6)1-2-8-5/h1-3,8H

Weigh it out

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

Work with 2-Chloro-5H-pyrrolo[3,2-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

6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-448 % similar Pyrrolopyrimidine272-50-448 % similar 2-Chloropurine1681-15-847 % similar 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-445 % similar 2-Chloro-5H-pyrrolo[2,3-B]pyrazine889447-19-245 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-444 % similar 2-Chloroquinazoline6141-13-544 % similar 5-Bromo-4-azaindole1000341-51-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-6 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-9

Elsewhere

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