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178876-84-1 | 2-Pyridinecarboxylic acid, 6-(acetylamino)-5-bromo-, methyl ester
CAS No: 178876-84-1 Catalog No: AG0026G1 MDL No:
Product Description
Catalog Number:
AG0026G1
Chemical Name:
2-Pyridinecarboxylic acid, 6-(acetylamino)-5-bromo-, methyl ester
CAS Number:
178876-84-1
Molecular Formula:
C9H9BrN2O3
Molecular Weight:
273.0834
IUPAC Name:
methyl 6-acetamido-5-bromopyridine-2-carboxylate
InChI:
InChI=1S/C9H9BrN2O3/c1-5(13)11-8-6(10)3-4-7(12-8)9(14)15-2/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
VJUDRCHEEDXRAQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)NC(=O)C)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.086g/mol
Monoisotopic Mass:
271.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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