5-Fluoro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid

C₈H₅FN₂O₂CAS 920978-94-5180.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅FN₂O₂
Molar mass: 180.14 g/mol
Exact mass: 180.0335 Da
logP: 1.40Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

920978-94-5

SMILES

C1=C2C=C(NC2=NC=C1F)C(=O)O

InChIKey

GLNFIUUKQXOTOZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5FN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)

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Work with 5-Fluoro-1H-pyrrolo[2,3-B]pyridine-2-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

1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-357 % similar 5-Fluoroindole-2-carboxylic acid399-76-857 % similar 5,7-Difluoroindole-2-carboxylic acid186432-20-256 % similar 6-Fluoroindole-2-carboxylic acid3093-97-854 % similar 3,5-Difluoropyridine-2-carboxylic acid745784-04-750 % similar 5,6-Difluoroindole-2-carboxylic acid169674-35-549 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-748 % similar 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid800401-68-748 % similar

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

Same formula

5-Fluoro-1H-indazole-3-carboxylic acid1077-96-9 2-Carboxy-6-fluoroimidazo[1,2-A]pyridine367500-94-5

Elsewhere

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