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23258-01-7 | 3-Pyridinecarboxylic acid, 6-(4-bromophenyl)-2-methyl-, ethyl ester
CAS No: 23258-01-7 Catalog No: AG002MOS MDL No:
Product Description
Catalog Number:
AG002MOS
Chemical Name:
3-Pyridinecarboxylic acid, 6-(4-bromophenyl)-2-methyl-, ethyl ester
CAS Number:
23258-01-7
Molecular Formula:
C15H14BrNO2
Molecular Weight:
320.1812
IUPAC Name:
ethyl 6-(4-bromophenyl)-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C15H14BrNO2/c1-3-19-15(18)13-8-9-14(17-10(13)2)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3
InChI Key:
CWQCMNLDCZKIMV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1C)c1ccc(cc1)Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.186g/mol
Monoisotopic Mass:
319.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction. | ACS combinatorial science 20110711 |
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