Home Halogens 2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester

2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester

CAS No.:
794592-13-5
Catalog Number:
AG01DNIL
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG01DNIL
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester
CAS Number:
794592-13-5
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD15523779
IUPAC Name:
ethyl 5-bromo-3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-6(2)4-7(10)5-11-8/h4-5H,3H2,1-2H3
InChI Key:
ZZKIZHFVMLOYHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(cc1C)Br
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties