chempirical

4-Chloro-1H-pyrazolo[3,4-b]pyridine

C6H4ClN3CAS 29274-28-0153.57 g/mol

Open in Covalent MOL file
NClNNH
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. Search the SDS library

Identifiers

CAS number
29274-28-0
SMILES
C1=CN=C2C(=C1Cl)C=NN2
InChIKey
AKWQSKVILVJWPC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)

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Names and synonyms

1 names
  • 5-Chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene

Work with 4-Chloro-1H-pyrazolo[3,4-b]pyridine

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-Bromo-1H-pyrazolo(3,4-b)pyridine856859-49-956 % similar 4-Iodo-7-aza-1H-indazole861881-02-956 % similar 4-Chloro-7-azaindole55052-28-353 % similar 4-Chloro (1H)indazole13096-96-350 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-848 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-047 % similar 4,8-Dichloroquinoline21617-12-942 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-842 % 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 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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