chempirical

4-Fluoro-1H-pyrrolo[2,3-B]pyridine

C7H5FN2CAS 640735-23-5136.13 g/mol

Open in Covalent MOL file
FNHN
Aryl halide

Properties

Molecular formula
C7H5FN2
Molar mass
136.13 g/mol
Exact mass
136.0437 Da
logP
1.65Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
640735-23-5
SMILES
Fc1cc[nH]c2nccc1-2
InChIKey
YZTWCWYRUCKWDR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)

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Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-b]pyridine, 4-fluoro-

Work with 4-Fluoro-1H-pyrrolo[2,3-B]pyridine

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]pyridin-4-ol74420-02-353 % similar 4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-152 % similar 2,2′-Biimidazole492-98-842 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-141 % similar 7-Deazaadenine1500-85-239 % similar 5-Fluoro-4-iodo-1H-pyrrolo[2,3-B]pyridine1015610-23-736 % similar 6-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine1190321-96-035 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-735 % similar

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

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 5-Fluoro-1H-indazole348-26-5 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-7 4-Amino-2-fluorobenzonitrile53312-80-4 5-Amino-2-fluorobenzonitrile53312-81-5 4-Amino-3-fluorobenzonitrile63069-50-1 2-Amino-6-fluorobenzonitrile77326-36-4

Elsewhere

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