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

C21H17N3O6CAS 330680-46-1407.38 g/mol

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Ester

Properties

Molecular formula
C21H17N3O6
Molar mass
407.38 g/mol
Exact mass
407.1117 Da
logP
2.57Crippen estimate
Polar surface area
117.6 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
330680-46-1
SMILES
COC(=O)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)OC)C(=O)OC
InChIKey
YDXTYOYBYASPDS-UHFFFAOYSA-N
InChI
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

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Work with Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-isonicotinic acid methyl ester26156-48-961 % similar Methyl 2-chloroisonicotinate58481-11-161 % similar Methyl 2-aminopyridine-4-carboxylate6937-03-761 % similar Methyl 2-acetylpyridine-4-carboxylate138715-82-957 % similar 4,4'-Bis(ethoxycarbonly)-2,2'-bipyridine1762-42-156 % similar Methyl 2-cyanopyridine-4-carboxylate94413-64-656 % similar Methyl isonicotinate2459-09-854 % similar Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate562086-30-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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