Trimethyl [2,2':6',2''-terpyridine]-4,4',4''-tricarboxylate

Catalog Number	ACM330680461-2
CAS	330680-46-1
Structure
Synonyms	4,4',4''-Trimethoxycarbonyl-2,2':6',2''-terpyridine; Methyl 2,6-bis(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
IUPAC Name	methyl 2,6-bis(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
Molecular Weight	407.38
Molecular Formula	C21H17N3O6
Canonical SMILES	COC(=O)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)OC)C(=O)OC
InChI	YDXTYOYBYASPDS-UHFFFAOYSA-N
InChI Key	InChI=1S/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3
Boiling Point	239-243 °C
Melting Point	239-243 °C
Purity	97%
Exact Mass	407.11173527
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Monoisotopic Mass	407.11173527
Rotatable Bond Count	8
Topological Polar Surface Area	118 Ų