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1149388-64-6 | 3-Pyridinecarboxylic acid, 5-amino-6-bromo-2-methyl-, ethyl ester
CAS No: 1149388-64-6 Catalog No: AG000FGW MDL No:MFCD18257507
Product Description
Catalog Number:
AG000FGW
Chemical Name:
3-Pyridinecarboxylic acid, 5-amino-6-bromo-2-methyl-, ethyl ester
CAS Number:
1149388-64-6
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD18257507
IUPAC Name:
ethyl 5-amino-6-bromo-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H11BrN2O2/c1-3-14-9(13)6-4-7(11)8(10)12-5(6)2/h4H,3,11H2,1-2H3
InChI Key:
AAMKCVXAHVFSND-UHFFFAOYSA-N
SMILES:
Cc1nc(Br)c(cc1C(=O)OCC)N
Properties
Complexity:
213
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:
1.8
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