Home Carboxys 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 1-[(3-fluorophenyl)methyl]-,ethyl ester

1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 1-[(3-fluorophenyl)methyl]-,ethyl ester

CAS No.:
920978-82-1
Catalog Number:
AG01DX8S
Molecular Formula:
C17H15FN2O2
Molecular Weight:
298.3116
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Product Description
Catalog Number:
AG01DX8S
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 1-[(3-fluorophenyl)methyl]-,ethyl ester
CAS Number:
920978-82-1
Molecular Formula:
C17H15FN2O2
Molecular Weight:
298.3116
MDL Number:
MFCD27964845
IUPAC Name:
ethyl 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate
InChI:
InChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-13-6-7-19-10-16(13)20(15)11-12-4-3-5-14(18)8-12/h3-10H,2,11H2,1H3
InChI Key:
OTEBZASQXCFNKT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1Cc1cccc(c1)F)cncc2
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.112g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.317g/mol
Monoisotopic Mass:
298.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties