chempirical

2,2':6',2''-Terpyridine-4'-carbaldehyde

C16H11N3OCAS 108295-45-0261.28 g/mol

Open in Covalent MOL file
NNNO
Aldehyde

Properties

Molecular formula
C16H11N3O
Molar mass
261.28 g/mol
Exact mass
261.0902 Da
logP
3.02Crippen estimate
Polar surface area
55.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
108295-45-0
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C=O
InChIKey
MEMKUPMTILFZQJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N3O/c20-11-12-9-15(13-5-1-3-7-17-13)19-16(10-12)14-6-2-4-8-18-14/h1-11H

Weigh it out

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

Work with 2,2':6',2''-Terpyridine-4'-carbaldehyde

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

4-(2-Pyridinyl)benzaldehyde127406-56-861 % similar Terpyridine1148-79-455 % similar 4′-Chloro-2,2′:6′,2′′-terpyridine128143-89-555 % similar 2,2′-Bipyridine366-18-752 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-847 % similar 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-947 % similar Pyridine-2-carbaldehyde1121-60-447 % similar 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-745 % similar

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

Elsewhere

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