5-(5-Bromo-3-pyridyl)-1H-tetrazole

C₆H₄BrN₅CAS 211943-13-4226.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄BrN₅
Molar mass: 226.04 g/mol
Exact mass: 224.9650 Da
logP: 1.02Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

211943-13-4

SMILES

C1=C(C=NC=C1Br)C2=NNN=N2

InChIKey

XJGDASCALCDOQH-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)

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Work with 5-(5-Bromo-3-pyridyl)-1H-tetrazole

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

5-(3-Bromophenyl)-2H-tetrazole3440-99-160 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-858 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-650 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-448 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-947 % similar 3-Bromo-5-phenylpyridine142137-17-546 % similar 3,5-Dibromopyridine625-92-345 % similar 5-Phenyltetrazole18039-42-444 % similar

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

Same formula

5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-9

Elsewhere

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