tert-Butyl 2,6-dichloroisonicotinate

C₁₀H₁₁Cl₂NO₂CAS 75308-46-2248.10 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₁₁Cl₂NO₂
Molar mass: 248.10 g/mol
Exact mass: 247.0167 Da
logP: 3.34Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
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

75308-46-2

SMILES

CC(C)(C)OC(=O)C1=CC(=NC(=C1)Cl)Cl

InChIKey

PLRVIRHWKQKSAK-UHFFFAOYSA-N

InChI

InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3

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Names and synonyms

1 names

tert-Butyl 2,6-dichloropyridine-4-carboxylate

Work with tert-Butyl 2,6-dichloroisonicotinate

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

tert-Butyl 2-chloropyridine-4-carboxylate295349-62-168 % similar Methyl 2,6-dichloroisonicotinate42521-09-562 % similar Methyl 2-Chloro-6-methylisonicotinate3998-90-150 % similar tert-Butyl 3-aminobenzoate92146-82-250 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-849 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-048 % similar tert-Butyl 4-iodobenzoate120363-13-547 % similar tert-Butyl 4-aminobenzoate18144-47-347 % similar

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

Same formula

(βR)-β-Amino-3,4-dichlorobenzenebutanoic acid269396-55-6 (βS)-β-Amino-2,4-dichlorobenzenebutanoic acid270063-47-3 (βS)-β-Amino-3,4-dichlorobenzenebutanoic acid270063-50-8

Elsewhere

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