6-Bromo-1-chloro-isoquinoline

C₉H₅BrClNCAS 205055-63-6242.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅BrClN
Molar mass: 242.50 g/mol
Exact mass: 240.9294 Da
logP: 3.65Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

205055-63-6

SMILES

C1=CC2=C(C=CN=C2Cl)C=C1Br

InChIKey

VOAHGGQULSSGQW-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

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Names and synonyms

1 names

6-Bromo-1-chloroisoquinoline

Work with 6-Bromo-1-chloro-isoquinoline

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-Bromo-1-isoquinolinamine215453-26-259 % similar 7-Bromo-2,4-dichloroquinazoline959237-68-446 % similar 6-Bromoisoquinoline34784-05-943 % similar 6-Bromoquinoline5332-25-242 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-241 % similar (S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol13185-00-741 % similar 1,6-Dibromo-2-naphthalenol16239-18-239 % similar 2,6-Dibromoanthracene186517-01-139 % similar

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

Same formula

8-Bromo-2-chloroquinoline163485-86-7 6-Bromo-2-chloroquinoline1810-71-5 7-Bromo-1-chloroisoquinoline215453-51-3 4-Bromo-1-chloroisoquinoline66728-98-1

Elsewhere

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