2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H17BN2O5CAS 1083168-94-8280.09 g/mol

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ONBOON+OO−
Boronic esterEtherNitro

Properties

Molecular formula
C12H17BN2O5
Molar mass
280.09 g/mol
Exact mass
280.1231 Da
logP
1.30Crippen estimate
Polar surface area
83.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
1083168-94-8
SMILES
COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]
InChIKey
XWXOPFXUTOQOSM-UHFFFAOYSA-N
InChI
InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)8-6-9(15(16)17)10(18-5)14-7-8/h6-7H,1-5H3

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Names and synonyms

1 names
  • Pyridine, 2-methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Work with 2-Methoxy-3-nitro-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-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline833486-94-557 % similar 5-Bromo-2-methoxy-3-nitropyridine152684-30-555 % similar 4-Nitrophenylboronic acid pinacol ester171364-83-349 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene68716-48-348 % similar 2-Nitrobenzeneboronic acid pinacol ester190788-59-147 % similar 2-Methoxy-3-methyl-5-nitropyridine89694-10-047 % similar 3-Bromo-2-methoxy-5-nitropyridine15862-50-746 % similar 2-Methoxy-3-nitropyridine20265-35-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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