3-Bromothieno[3,2-C]pyridin-4-amine

C₇H₅BrN₂SCAS 799293-85-9229.09 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₅BrN₂S
Molar mass: 229.09 g/mol
Exact mass: 227.9357 Da
logP: 2.64Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

799293-85-9

SMILES

C1=CN=C(C2=C1SC=C2Br)N

InChIKey

NRVPVUKWJYSNTO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2S/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H,(H2,9,10)

Weigh it out

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

Work with 3-Bromothieno[3,2-C]pyridin-4-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

2-Amino-3-bromopyridine13534-99-147 % similar 3-Bromothieno(3,2-b)thiophene25121-83-937 % similar 3-Bromo-1-benzothiophene7342-82-737 % similar 6-Bromo-1-isoquinolinamine215453-26-235 % similar 4-Bromo-2-methyl-3-pyridinamine126325-48-234 % similar 5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-133 % similar 4-Bromo-1H-indazol-3-amine914311-50-533 % similar 4-Chloropyridine-2,3-diamine24484-98-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-bromobenzothiazole15864-32-1 4-Bromo-1,3-benzothiazol-2-amine20358-02-5 5-Bromo-1,3-benzothiazol-2-amine20358-03-6

Elsewhere

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