chempirical

4,4'-Bis(diethylmethylphosphonate)-2,2'-bipyridine

C20H30N2O6P2CAS 176220-38-5456.42 g/mol

Open in Covalent MOL file
OPONNPOOOO
Phosphonate

Properties

Molecular formula
C20H30N2O6P2
Molar mass
456.42 g/mol
Exact mass
456.1579 Da
logP
5.68Crippen estimate
Polar surface area
96.8 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
13

Identifiers

CAS number
176220-38-5
SMILES
CCOP(=O)(CC1=CC(=NC=C1)C2=NC=CC(=C2)CP(=O)(OCC)OCC)OCC
InChIKey
OQVYMXCRDHDTTH-UHFFFAOYSA-N
InChI
InChI=1S/C20H30N2O6P2/c1-5-25-29(23,26-6-2)15-17-9-11-21-19(13-17)20-14-18(10-12-22-20)16-30(24,27-7-3)28-8-4/h9-14H,5-8,15-16H2,1-4H3

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Names and synonyms

1 names
  • Tetraethyl ([2,2'-bipyridine]-4,4'-diylbis(methylene))bis(phosphonate)

Work with 4,4'-Bis(diethylmethylphosphonate)-2,2'-bipyridine

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

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-762 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-658 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-557 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-254 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-753 % similar Diethyl P-[(4-bromophenyl)methyl]phosphonate38186-51-553 % similar Diethyl P-[(4-chlorophenyl)methyl]phosphonate39225-17-753 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-053 % similar

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

Elsewhere

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