Home Halogens 2-Pyridinecarboxylic acid, 3-amino-5-bromo-, 1-methylethyl ester

2-Pyridinecarboxylic acid, 3-amino-5-bromo-, 1-methylethyl ester

CAS No.:
1313738-67-8
Catalog Number:
AG000W13
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
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Product Description
Catalog Number:
AG000W13
Chemical Name:
2-Pyridinecarboxylic acid, 3-amino-5-bromo-, 1-methylethyl ester
CAS Number:
1313738-67-8
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD17168419
IUPAC Name:
propan-2-yl 3-amino-5-bromopyridine-2-carboxylate
InChI:
InChI=1S/C9H11BrN2O2/c1-5(2)14-9(13)8-7(11)3-6(10)4-12-8/h3-5H,11H2,1-2H3
InChI Key:
LQRPKKCXPFUUNP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ncc(cc1N)Br)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties