chempirical

8-Iodo quinoline

C9H6INCAS 1006-47-9255.06 g/mol

Open in Covalent MOL file
IN
Aryl halide

Properties

Molecular formula
C9H6IN
Molar mass
255.06 g/mol
Exact mass
254.9545 Da
logP
2.84Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1006-47-9
SMILES
C1=CC2=C(C(=C1)I)N=CC=C2
InChIKey
OBEGSKDGFBFMFJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • 8-Iodoquinoline

Work with 8-Iodo quinoline

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

1,10-Phenanthroline66-71-758 % similar 8-Methylquinoline611-32-557 % similar 8-Bromoquinoline16567-18-354 % similar 8-Chloroquinoline611-33-654 % similar 1,10-Phenanthroline hydrochloride3829-86-552 % similar 4,5-Phenanthroline monohydrate5144-89-852 % similar 8-Hydroxyquinoline148-24-352 % similar 8-Fluoroquinoline394-68-352 % similar

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

Same formula

6-Iodoquinoline13327-31-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook