5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate

C₁₆H₁₆N₂O₄CAS 1762-46-5300.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆N₂O₄
Molar mass: 300.31 g/mol
Exact mass: 300.1110 Da
Melting point: 145–147 °C
logP: 2.50Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

1762-46-5

SMILES

CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)cn2)nc1

InChIKey

IUNBUYCOAQHBMC-UHFFFAOYSA-N

InChI

InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

[2,2′-Bipyridine]-5,5′-dicarboxylic acid, 5,5′-diethyl ester
6,6′-Binicotinic acid, diethyl ester
[2,2′-Bipyridine]-5,5′-dicarboxylic acid, diethyl ester
5,5′-Diethoxycarbonyl-2,2′-bipyridine
5,5′-Dicarbethoxy-2,2′-bipyridine
Diethyl 2,2′-bipyridyl-5,5′-dicarboxylate
Diethyl 2,2′-bipyridine-5,5′-dicarboxylate
5,5′-Bis(ethoxycarbonyl)-2,2′-bipyridine
5,5-Bis(carboxyethyl)-2,2′-bipyridine
[2,2′]-Bipyridinyl-5,5′-dicarboxylic acid diethyl ester

Work with 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate

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

2,5-Pyridinedicarboxylic acid diethyl ester5552-44-374 % similar Ethyl 6-methylnicotinate21684-59-371 % similar Ethyl 6-aminonicotinate39658-41-869 % similar Ethyl 6-chloronicotinate49608-01-769 % similar Diethyl terephthalate636-09-967 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-064 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-463 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Desmedipham13684-56-5 Phenmedipham13684-63-4 4,4'-Bis(ethoxycarbonly)-2,2'-bipyridine1762-42-1 (Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide521284-19-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook