chempirical

1,3-Di(2-pyridyl)-1,3-propanedione

C13H10N2O2CAS 10198-89-7226.23 g/mol

Open in Covalent MOL file
NOON
Ketone

Properties

Molecular formula
C13H10N2O2
Molar mass
226.23 g/mol
Exact mass
226.0742 Da
logP
1.93Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
10198-89-7
SMILES
C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2
InChIKey
DCGUVLMWGIPVDP-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2

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Work with 1,3-Di(2-pyridyl)-1,3-propanedione

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

β-Oxo-2-pyridinepropanenitrile54123-21-665 % similar 2-Pyridyl ketone19437-26-459 % similar 2,2′-Pyridil492-73-959 % similar 2-Acetylpyridine1122-62-953 % similar Picolinic acid98-98-653 % similar Chromium(III) picolinate14639-25-953 % similar Zinc picolinate17949-65-453 % similar 2-Benzoylpyridine91-02-152 % similar

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

Same formula

p-Phenylazobenzoic acid1562-93-2

Elsewhere

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