953061-59-1
5-BOC-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
Name5-BOC-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
1Identification
【Name】
5-BOC-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06011072
【English Synonyms】
【Formula】
C12 H17 N3 O4
【MolWeight】
267.283
【Inchi】
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)
【InChIKey】
InChIKey=YGCXTGCCLCADLQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)CC1C(=O)O
【MOL File】
5-BOC-4,5,6,7-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BOC-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID.cml