Home Carboxys 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-methyl-

1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-methyl-

CAS No.:
872355-55-0
Catalog Number:
AG00IEFU
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00IEFU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-methyl-
CAS Number:
872355-55-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD09880165
IUPAC Name:
6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-7(9(12)13)4-6-2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
LWQIPNHJSKATMP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc[nH]c2nc1C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties