2-Chloro-7H-pyrrolo[2,3-D]pyrimidine

C6H4ClN3CAS 335654-06-3153.57 g/mol

Open in Covalent MOL file
NHNNCl
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

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
335654-06-3
SMILES
C1=CNC2=NC(=NC=C21)Cl
InChIKey
HJOQGBBHVRYTDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)

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

Work with 2-Chloro-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

6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-952 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine55052-27-252 % similar 5-Chloro-7-azaindole866546-07-850 % similar 2-Chloro-5H-pyrrolo[2,3-B]pyrazine889447-19-245 % similar 2-Chloroquinazoline6141-13-544 % similar 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-742 % similar 6-Methyl-1H-pyrrolo[2,3-b]pyridine824-51-142 % similar 6-Fluoro-1H-pyrrolo(2,3-b)pyridine898746-42-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 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 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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