chempirical

6-Chloro-1H-pyrazolo[3,4-D]pyrimidine

C5H3ClN4CAS 23002-51-9154.56 g/mol

Open in Covalent MOL file
NNHNNCl
Aryl halide

Properties

Molecular formula
C5H3ClN4
Molar mass
154.56 g/mol
Exact mass
154.0046 Da
logP
1.01Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23002-51-9
SMILES
C1=C2C=NNC2=NC(=N1)Cl
InChIKey
CZAPPYRAFCOFOL-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN4/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H,7,8,9,10)

Weigh it out

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

Work with 6-Chloro-1H-pyrazolo[3,4-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

2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-352 % similar 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-952 % similar 6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine55084-74-752 % similar 4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine42754-96-147 % similar 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-042 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-841 % similar 2-Chloroquinazoline6141-13-541 % similar 6-Bromo-2-chloroquinazoline882672-05-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloropurine1681-15-8 6-Chloro-[1,2,4]triazolo[4,3-B]pyridazine28593-24-0 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-8 4-Amino-6-chloropyrimidine-5-carbonitrile60025-09-4 6-Chloropurine87-42-3

Elsewhere

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