chempirical

5-Fluoro-1H-indazole-3-carboxylic acid

C8H5FN2O2CAS 1077-96-9180.14 g/mol

Open in Covalent MOL file
OHONNHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H5FN2O2
Molar mass
180.14 g/mol
Exact mass
180.0335 Da
Melting point
299 °C
logP
1.40Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1077-96-9
SMILES
O=C(O)c1n[nH]c2ccc(F)cc12
InChIKey
XFHIMKNXBUKQNS-UHFFFAOYSA-N
InChI
InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)

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Names and synonyms

2 names
  • 1H-Indazole-3-carboxylic acid, 5-fluoro-
  • 5-Fluoroindazole-3-carboxylic acid

Work with 5-Fluoro-1H-indazole-3-carboxylic acid

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-Bromo-1H-indazole-3-carboxylic acid1077-94-767 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-765 % similar Indazole-3-carboxylic acid4498-67-361 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-255 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-850 % similar 5-Fluoroindole-2-carboxylic acid399-76-849 % similar 2-Chloro-5-fluorobenzoic acid2252-50-845 % similar 4-Bromo-1H-indazole-3-carboxylic acid885521-80-244 % similar

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

Elsewhere

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