940948-28-7
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
Name1(2H)-PYRIDINECARBOXYLIC ACID, 4-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16039084
【English Synonyms】
【Formula】
C17 H18 Cl N3 O2
【MolWeight】
331.801
【Inchi】
InChI=1S/C17H18ClN3O2/c1-17(2,3)23-16(22)21-8-5-11(6-9-21)14-10-12-13(18)4-7-19-15(12)20-14/h4-8,10H,9H2,1-3H3,(H,19,20)
【InChIKey】
InChIKey=LXKNSOVPVOXAPG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC=C(C=C1)c2cc3c(ccnc3[nH]2)Cl
【MOL File】
1(2H)-PYRIDINECARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER.cml