864682-43-9
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID, 3-(1H-PYRAZOL-4-YL)-, ETHYL ESTER
Name
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID, 3-(1H-PYRAZOL-4-YL)-, ETHYL ESTER
Formula
C13 H12 N4 O2
MolWeight
256.264
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID, 3-(1H-PYRAZOL-4-YL)-, ETHYL ESTER
【CAS】
【MDL】
MFCD15529019
【English Synonyms】
【Formula】
C13 H12 N4 O2
【MolWeight】
256.264
【Inchi】
InChI=1S/C13H12N4O2/c1-2-19-13(18)8-3-10-11(9-5-16-17-6-9)7-15-12(10)14-4-8/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=QLAKRGAMNWRHRX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2c(c[nH]c2nc1)c3c[nH]nc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID, 3-(1H-PYRAZOL-4-YL)-, ETHYL ESTER.cml
Quick Release
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