Home Carboxys 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-Methoxy-, ethyl ester

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-Methoxy-, ethyl ester

CAS No.:
1045856-81-2
Catalog Number:
AG008TBB
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG008TBB
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-Methoxy-, ethyl ester
CAS Number:
1045856-81-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD15529007
IUPAC Name:
ethyl 5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(14)9-5-7-4-8(15-2)6-12-10(7)13-9/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key:
IAFMEMVTCGKXEB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncc(c2)OC
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties