Home Halogens 2-bromo-6-hydroxypyridine-4-carboxylic acid

2-bromo-6-hydroxypyridine-4-carboxylic acid

CAS No.:
1393567-29-7
Catalog Number:
AG01B8XN
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
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Product Description
Catalog Number:
AG01B8XN
Chemical Name:
2-bromo-6-hydroxypyridine-4-carboxylic acid
CAS Number:
1393567-29-7
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD26401797
IUPAC Name:
2-bromo-6-oxo-1H-pyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-5(9)8-4/h1-2H,(H,8,9)(H,10,11)
InChI Key:
RDEJDMRLIBFJNY-UHFFFAOYSA-N
SMILES:
Oc1nc(Br)cc(c1)C(=O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.937g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.006g/mol
Monoisotopic Mass:
216.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties