chempirical

4-Fluoro-1H-indazole-5-carbonitrile

C8H4FN3CAS 473416-81-8161.14 g/mol

Open in Covalent MOL file
NNHNF
Aryl halideNitrile

Properties

Molecular formula
C8H4FN3
Molar mass
161.14 g/mol
Exact mass
161.0389 Da
logP
1.57Crippen estimate
Polar surface area
52.5 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
473416-81-8
SMILES
C1=CC2=C(C=NN2)C(=C1C#N)F
InChIKey
WGOKYACZRGAYOZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4FN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12)

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Work with 4-Fluoro-1H-indazole-5-carbonitrile

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

1H-Indazole-4-carbonitrile861340-10-563 % similar 5-Bromo-4-fluoro-1H-indazole1082041-85-754 % similar 2,3,4-Trifluorobenzonitrile143879-80-544 % similar 1H-Indazole-5-carbonitrile74626-47-443 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-742 % similar 4-Fluoroindazole341-23-142 % similar 2,4-Difluoro-3-methylbenzonitrile847502-87-840 % similar 3-Chloro-2,4-difluorobenzonitrile887267-38-140 % similar

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

Elsewhere

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