5050-48-6
3-(4-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PROPANOIC ACID HYDROCHLORIDE
Name3-(4-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PROPANOIC ACID HYDROCHLORIDE
FormulaC11 H12 N2 O2 . Cl H
1Identification
【Name】
3-(4-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PROPANOIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD11040738
【English Synonyms】
【Formula】
C11 H12 N2 O2 . Cl H
【MolWeight】
240.689
【Inchi】
InChI=1S/C11H12N2O2.ClH/c1-7-4-5-12-11-10(7)8(6-13-11)2-3-9(14)15;/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15);1H
【InChIKey】
InChIKey=AUWKSNDZUIFJDA-UHFFFAOYSA-N
【SMILES】
Cc1ccnc2c1c(c[nH]2)CCC(=O)O.Cl
【MOL File】
3-(4-METHYL-1H-PYRRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PROPANOIC ACID HYDROCHLORIDE.cml