876343-86-1
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(5-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
Name1(2H)-PYRIDINECARBOXYLIC ACID, 4-(5-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
pro_formulaC17 H19 Br Cl N3 O2
1Identification
【Name】
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(5-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16039103
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H19 Br Cl N3 O2
【pro_molWeight】
412.713
【Inchi】
InChI=1S/C17H19BrClN3O2/c1-17(2,3)24-16(23)22-6-4-10(5-7-22)13-8-11-14(19)12(18)9-20-15(11)21-13/h4,8-9H,5-7H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=UAJAJTDEJFDKKW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(=CC1)c2cc3c(c(cnc3[nH]2)Br)Cl
【MOL File】
1(2H)-PYRIDINECARBOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(5-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER.cml