Home Halogens 5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid

5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid

CAS No.:
1251100-41-0
Catalog Number:
AG01AI4V
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
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Product Description
Catalog Number:
AG01AI4V
Chemical Name:
5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid
CAS Number:
1251100-41-0
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD16159568
IUPAC Name:
5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9BrN2O2/c1-11(2)7-6(8(12)13)3-5(9)4-10-7/h3-4H,1-2H3,(H,12,13)
InChI Key:
WSVUADXXEYJFRX-UHFFFAOYSA-N
SMILES:
CN(c1ncc(cc1C(=O)O)Br)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties