5-tert-Butoxycarbonylamino-2-chloroisonicotinic acid

C₁₁H₁₃ClN₂O₄CAS 171178-46-4272.68 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₃ClN₂O₄
Molar mass: 272.68 g/mol
Exact mass: 272.0564 Da
logP: 2.79Crippen estimate
Polar surface area: 92.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

171178-46-4

SMILES

CC(C)(C)OC(O)=Nc1cnc(Cl)cc1C(=O)O

InChIKey

KOSPRFUMGCNGFJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-7-5-13-8(12)4-6(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)

Weigh it out

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

Names and synonyms

3 names

4-Pyridinecarboxylic acid, 2-chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-
2-Chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acid
5-[(tert-Butoxy)carbonylamino]-2-chloropyridine-4-carboxylic acid

Work with 5-tert-Butoxycarbonylamino-2-chloroisonicotinic 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

2,5-Dichloroisonicotinic acid88912-26-950 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-648 % similar 5-Amino-2-chloroisonicotinic acid58483-95-748 % similar 4,6-Dichloronicotinic acid73027-79-947 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylic acid128293-64-144 % similar 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-6-benzothiazolecarboxylic acid225525-50-842 % similar 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-041 % similar 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-438 % similar

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

Elsewhere

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