chempirical

6-Iodoquinoline

C9H6INCAS 13327-31-6255.06 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
13327-31-6
SMILES
C1=CC2=C(C=CC(=C2)I)N=C1
InChIKey
WKTASELJZCIVBR-UHFFFAOYSA-N
InChI
InChI=1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

Weigh it out

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

Work with 6-Iodoquinoline

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

6-Fluoroquinoline396-30-555 % similar 6-Bromoquinoline5332-25-255 % similar 6-Aminoquinoline580-15-455 % similar 6-Hydroxyquinoline580-16-555 % similar 6-Chloroquinoline612-57-755 % similar 6-Isopropylquinoline135-79-550 % similar 6-Methoxyquinoline5263-87-650 % similar 2-Iodonaphthalene612-55-550 % similar

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

Same formula

8-Iodo quinoline1006-47-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook