6-Bromo-1-isoquinolinamine

C₉H₇BrN₂CAS 215453-26-2223.07 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₇BrN₂
Molar mass: 223.07 g/mol
Exact mass: 221.9793 Da
logP: 2.58Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

215453-26-2

SMILES

Nc1nccc2cc(Br)ccc12

InChIKey

PZNNAAGLKCNZKE-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)

Weigh it out

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

Names and synonyms

4 names

1-Isoquinolinamine, 6-bromo-
1-Amino-6-bromoisoquinoline
6-Bromoisoquinolin-1-amine
(6-Bromoisoquinolin-1-yl)amine

Work with 6-Bromo-1-isoquinolinamine

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-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 6-Bromo-4-methylquinoline41037-28-938 % similar 6-Bromo-1(2H)-isoquinolinone82827-09-638 % similar

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

Same formula

1-(4-Bromophenyl)imidazole10040-96-7 1-Bromoisoquinolin-3-amine13130-79-5 5-Bromo-8-quinolinamine53472-18-7

Elsewhere

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