Home Halogens 5-bromo-6-cyanopyridine-3-carboxylic acid

5-bromo-6-cyanopyridine-3-carboxylic acid

CAS No.:
1211537-28-8
Catalog Number:
AG01A51E
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
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Product Description
Catalog Number:
AG01A51E
Chemical Name:
5-bromo-6-cyanopyridine-3-carboxylic acid
CAS Number:
1211537-28-8
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD08062685
IUPAC Name:
5-bromo-6-cyanopyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3BrN2O2/c8-5-1-4(7(11)12)3-10-6(5)2-9/h1,3H,(H,11,12)
InChI Key:
XIOGHYWEVRVBRF-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1Br)C(=O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.938g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.017g/mol
Monoisotopic Mass:
225.938g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties