1-Bromoisoquinolin-3-amine

C₉H₇BrN₂CAS 13130-79-5223.07 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

13130-79-5

SMILES

C1=CC=C2C(=C1)C=C(N=C2Br)N

InChIKey

PSQUIUNIVDKHJK-UHFFFAOYSA-N

InChI

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

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

Work with 1-Bromoisoquinolin-3-amine

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

9-Bromoanthracene1564-64-342 % similar 9,9′-Bianthryl1055-23-837 % similar 1-Bromo-2-naphthalenamine20191-75-736 % similar Dibenz(A,H)anthracene53-70-335 % similar 2-Amino-6-bromopyridine19798-81-335 % similar 1,3-Dichloroisoquinoline7742-73-635 % similar Anthramine610-49-134 % similar (S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol111795-43-834 % similar

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

Same formula

1-(4-Bromophenyl)imidazole10040-96-7 6-Bromo-1-isoquinolinamine215453-26-2 5-Bromo-8-quinolinamine53472-18-7

Elsewhere

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