6-Iodoquinoline

C₉H₆INCAS 13327-31-6255.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆IN
Molar mass: 255.06 g/mol
Exact mass: 254.9545 Da
logP: 2.84Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

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-Methylquinoline91-62-355 % similar Quinoline91-22-552 % similar Quinolin-6-ylboronic Acid (contains varying amounts of Anhydride)376581-24-752 % 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