chempirical

6-Chloro-1H-pyrazolo[3,4-B]pyridine

C6H4ClN3CAS 63725-51-9153.57 g/mol

Open in Covalent MOL file
NNHNCl
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
63725-51-9
SMILES
C1=CC(=NC2=C1C=NN2)Cl
InChIKey
NWYLBGYCSAJFCB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H,8,9,10)

Weigh it out

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

Work with 6-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

6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-952 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine55052-27-252 % similar 2,9-Dichloro-1,10-phenanthroline29176-55-446 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-844 % similar 5-Chloro-1H-pyrazolo(3,4-c)pyridine76006-08-141 % similar 2-Chloroquinoline612-62-441 % similar 2,8-Dichloroquinoline4470-83-138 % similar 6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine55084-74-738 % 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 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook