259816-60-9
1-METHYL-4-(4-PYRIDINYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
Name1-METHYL-4-(4-PYRIDINYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
1-METHYL-4-(4-PYRIDINYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11217866
【English Synonyms】
【Formula】
C13 H14 N2 O2
【MolWeight】
230.266
【Inchi】
InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-15(2)8-11(12)10-4-6-14-7-5-10/h4-9H,3H2,1-2H3
【InChIKey】
InChIKey=XMANFBSOFKNMAM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cn(cc1c2ccncc2)C
【MOL File】
1-METHYL-4-(4-PYRIDI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-(4-PYRIDINYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER.cml