chempirical

6-Chloro-2-fluoropurine

C5H2ClFN4CAS 1651-29-2172.55 g/mol

Open in Covalent MOL file
NNHNNFCl
Aryl halide

Properties

Molecular formula
C5H2ClFN4
Molar mass
172.55 g/mol
Exact mass
171.9952 Da
logP
1.15Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
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
1651-29-2
SMILES
C1=NC2=C(N1)C(=NC(=N2)F)Cl
InChIKey
UNRIYCIDCQDGQE-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

Weigh it out

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

Work with 6-Chloro-2-fluoropurine

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

5,7-Dichloro-1H-imidazo[4,5-b]pyridine24485-01-643 % similar 7-Chloro-1H-imidazo(4,5-b)pyridine6980-11-638 % similar 4,5-Dichloroimidazole15965-30-736 % similar 2-Chloropurine1681-15-835 % similar 2-Amino-6-iodopurine19690-23-435 % similar 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-834 % similar 4,6-Dichloroimidazo[4,5-C]pyridine2589-12-033 % similar 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook