6-Chloroisoquinoline

C9H6ClNCAS 62882-02-4163.60 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C9H6ClN
Molar mass
163.60 g/mol
Exact mass
163.0189 Da
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
62882-02-4
SMILES
C1=CC2=C(C=CN=C2)C=C1Cl
InChIKey
NCJNOOHAQSFEJN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • Isoquinoline, 6-chloro- (6ci,9ci)

Work with 6-Chloroisoquinoline

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-Aminoisoquinoline23687-26-553 % similar 6-Bromoisoquinoline34784-05-953 % similar 6-Methylisoquinoline42398-73-253 % similar Isoquinolin-6-ol7651-82-353 % similar 2-Chloronaphthalene91-58-752 % similar 2-Chloroanthracene17135-78-350 % similar 6-Methoxyisoquinoline52986-70-648 % similar 6-Isopropylisoquinoline790304-84-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloroisoquinoline19493-44-8 3-Chloroisoquinoline19493-45-9 8-Chloroisoquinoline34784-07-1 5-Chloroisoquinoline5430-45-5 8-Chloroquinoline611-33-6 4-Chloroquinoline611-35-8 6-Chloroquinoline612-57-7 3-Chloroquinoline612-59-9

Elsewhere

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