Ethyl 6-bromo-4'-hexadecyl-2,2'-bipyridine-4-carboxylate

Catalog Number	ACM857053817
CAS	857053-81-7
Structure
IUPAC Name	ethyl 2-bromo-6-(4-hexadecylpyridin-2-yl)pyridine-4-carboxylate
Molecular Weight	531.57
Molecular Formula	C29H43BrN2O2
InChI	InChI=1S/C29H43BrN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-31-26(21-24)27-22-25(23-28(30)32-27)29(33)34-4-2/h19-23H,3-18H2,1-2H3
InChI Key	NTYLYYQJUXNYSY-UHFFFAOYSA-N
Complexity	518
Exact Mass	530.25079 g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCC1=CC(=NC=C1)C2=NC(=CC(=C2)C(=O)OCC)Br
Monoisotopic Mass	530.25079 g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	52.1Ų