Home Carboxys 5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

CAS No.:
1260381-31-4
Catalog Number:
AG01BXJL
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG01BXJL
Chemical Name:
5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS Number:
1260381-31-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD18381036
IUPAC Name:
5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-14-6-2-5-3-7(9(12)13)11-8(5)10-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
BLICHPDSRSMZOI-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties