chempirical

2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C13H18BN5O2CAS 1056039-83-8287.13 g/mol

Open in Covalent MOL file
BOONNNNN
Boronic ester

Properties

Molecular formula
C13H18BN5O2
Molar mass
287.13 g/mol
Exact mass
287.1554 Da
logP
0.57Crippen estimate
Polar surface area
75.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Identifiers

CAS number
1056039-83-8
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=NN(N=N3)C
InChIKey
VOEFRGFXMMXFGK-UHFFFAOYSA-N
InChI
InChI=1S/C13H18BN5O2/c1-12(2)13(3,4)21-14(20-12)9-6-7-10(15-8-9)11-16-18-19(5)17-11/h6-8H,1-5H3

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Work with 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-758 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-947 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-745 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-642 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-040 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-638 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-038 % similar 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1002309-52-537 % similar

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

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