B-(1-Methyl-1H-indol-4-yl)boronic acid

C₉H₁₀BNO₂CAS 590417-56-4174.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀BNO₂
Molar mass: 174.99 g/mol
Exact mass: 175.0805 Da
logP: -0.14Crippen estimate
Polar surface area: 45.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

590417-56-4

SMILES

Cn1ccc2c(B(O)O)cccc21

InChIKey

GLLDFWAZHLTQLC-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BNO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6,12-13H,1H3

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(1-methyl-1H-indol-4-yl)-
Boronic acid, (1-methyl-1H-indol-4-yl)-
(1-Methyl-1H-indol-4-yl)boronic acid

Work with B-(1-Methyl-1H-indol-4-yl)boronic acid

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

1-Naphthylboronic acid13922-41-344 % similar B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid1189047-28-642 % similar 2-Methylsulfanylphenylboronic acid168618-42-638 % similar 2,3-Dimethylphenylboronic acid183158-34-138 % similar 2-Methylphenylboronic acid16419-60-637 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-437 % similar (2,3-Dichlorophenyl)boronic acid151169-74-335 % similar 1-(Phenylsulfonyl)-1H-indol-3-ylboronic acid129271-98-335 % similar

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

Elsewhere

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