chempirical

5-Bromo-6-fluoro-1H-indazole

C7H4BrFN2CAS 105391-70-6215.03 g/mol

Open in Covalent MOL file
NNHBrF
Aryl halide

Properties

Molecular formula
C7H4BrFN2
Molar mass
215.03 g/mol
Exact mass
213.9542 Da
logP
2.46Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
105391-70-6
SMILES
C1=C2C=NNC2=CC(=C1Br)F
InChIKey
ZNNFNEIFQIAWNY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFN2/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,(H,10,11)

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Work with 5-Bromo-6-fluoro-1H-indazole

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-Bromo-5-methyl (1H)indazole1000343-69-054 % similar 6-Bromo-5-methoxy-1H-indazole1206800-17-050 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-546 % similar 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-746 % similar 5-Fluoro-1H-indazole348-26-546 % similar 5-Bromo-1H-pyrazolo[3,4-C]pyridine929617-35-646 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-643 % similar 4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-339 % similar

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

Same formula

5-Bromo-4-fluoro-1H-indazole1082041-85-7 6-Bromo-5-fluoro-1H-indazole1286734-85-7 6-Bromo-4-fluoro-1H-indazole885520-23-0 4-Bromo-6-fluoro-1H-indazole885520-35-4

Elsewhere

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