Home Carboxys 1-methyl-5-oxo-1H,4H,5H,6H,7H-imidazo[4,5-b]pyridine-7-carboxylic acid

1-methyl-5-oxo-1H,4H,5H,6H,7H-imidazo[4,5-b]pyridine-7-carboxylic acid

CAS No.:
1864072-66-1
Catalog Number:
AG01ALH0
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
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Product Description
Catalog Number:
AG01ALH0
Chemical Name:
1-methyl-5-oxo-1H,4H,5H,6H,7H-imidazo[4,5-b]pyridine-7-carboxylic acid
CAS Number:
1864072-66-1
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD29041050
IUPAC Name:
1-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C8H9N3O3/c1-11-3-9-7-6(11)4(8(13)14)2-5(12)10-7/h3-4H,2H2,1H3,(H,10,12)(H,13,14)
InChI Key:
RPQDJHKKMMHHAZ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ncn(c2C(C1)C(=O)O)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties