chempirical

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

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 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-444 % similar 5-Bromo-4-azaindole1000341-51-442 % similar 1H-Pyrrolo[3,2-B]pyridine272-49-141 % similar 6-Bromo-1H-pyrrolo[3,2-B]pyridine944937-53-540 % similar 7-Bromo-2-chloroquinazoline953039-66-238 % similar 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-037 % similar 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-836 % 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 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-1 5-Chlorobenzotriazole94-97-3

Elsewhere

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