5-Chloro-6-fluoroindole

C8H5ClFNCAS 169674-57-1169.58 g/mol

Open in Covalent MOL file
HNClF
Aryl halide

Properties

Molecular formula
C8H5ClFN
Molar mass
169.58 g/mol
Exact mass
169.0095 Da
logP
2.96Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
169674-57-1
SMILES
C1=CNC2=CC(=C(C=C21)Cl)F
InChIKey
JXFLPDYKOWHEJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 5-Chloro-6-fluoro-1H-indole

Work with 5-Chloro-6-fluoroindole

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

5,6-Dichloro-1H-indole121859-57-268 % similar 5,6-Difluoro-1H-indole169674-01-568 % similar 5-Bromo-6-chloro-1H-indole122531-09-353 % similar 6-Fluoro-5-methoxy-1H-indole63762-83-453 % similar 6-Chloro-5-fluoro-1H-benzimidazole175135-04-347 % similar 6-Chloro-5-fluorobenzimidazole-2-thiol142313-30-246 % similar 5-Chloroindole17422-32-145 % similar 6-Chloroindole17422-33-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-fluoro-1H-indole122509-72-2 (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-3 2-(3-Chloro-2-fluorophenyl)acetonitrile261762-98-5 3-Chloro-5-fluorophenylacetonitrile493038-93-0 4-Chloro-2-fluorobenzeneacetonitrile75279-53-7 2-Chloro-6-fluorobenzeneacetonitrile75279-55-9 2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-2

Elsewhere

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