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29681-44-5 | 3-Pyridinecarboxylic acid, 5-bromo-, methyl ester
CAS No: 29681-44-5 Catalog No: AG002Z3G MDL No:MFCD00173668
Product Description
Catalog Number:
AG002Z3G
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-, methyl ester
CAS Number:
29681-44-5
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00173668
IUPAC Name:
methyl 5-bromopyridine-3-carboxylate
InChI:
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChI Key:
AAJZXPWBILCHAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| The synthesis of 5-substituted ring E analogs of methyllycaconitine via the Suzuki-Miyaura cross-coupling reaction. | Bioorganic & medicinal chemistry 20080401 |
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