Home Carboxys 2-(oxan-4-yl)-3H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(oxan-4-yl)-3H-imidazo[4,5-b]pyridine-7-carboxylic acid

CAS No.:
1708509-73-2
Catalog Number:
AG01B64V
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
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Product Description
Catalog Number:
AG01B64V
Chemical Name:
2-(oxan-4-yl)-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CAS Number:
1708509-73-2
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD25331364
IUPAC Name:
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C12H13N3O3/c16-12(17)8-1-4-13-11-9(8)14-10(15-11)7-2-5-18-6-3-7/h1,4,7H,2-3,5-6H2,(H,16,17)(H,13,14,15)
InChI Key:
RMDWGBDFGJPSDT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1nc([nH]2)C1CCOCC1
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties