structure of 1-Piperidinecarboxylic acid, 3-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 3-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-, 1,1-dimethylethyl ester

CAS No.: 1001070-18-3
M. Wt: 335.82800
M. Fa: C17H22ClN3O2
InChI Key: AAFAMAAYQXTWFR-UHFFFAOYSA-N

Names and Identifiers of 1001070-18-3

CAS Number

1001070-18-3

IUPAC Name

tert-butyl 3-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate

InChI

InChI=1S/C17H22ClN3O2/c1-17(2,3)23-16(22)21-8-4-5-12(10-21)13-9-11-6-7-14(18)20-15(11)19-13/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,19,20)

InChIKey

AAFAMAAYQXTWFR-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC3=C(N2)N=C(C=C3)Cl

Physical and chemical properties of 1001070-18-3

Exact Mass

335.14000

LogP

4.26870

Molecular Formula

C17H22ClN3O2

Molecular Weight

335.82800

PSA

58.22000

Safety Information of 1001070-18-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.