chempirical

2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid

C18H11N3O6CAS 216018-58-5365.30 g/mol

Open in Covalent MOL file
NOHONNOHOOOH
Carboxylic acid

Properties

Molecular formula
C18H11N3O6
Molar mass
365.30 g/mol
Exact mass
365.0648 Da
logP
2.30Crippen estimate
Polar surface area
150.6 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5

Identifiers

CAS number
216018-58-5
SMILES
C1=CN=C(C=C1C(=O)O)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)O)C(=O)O
InChIKey
NTXWAWVRPLVLKC-UHFFFAOYSA-N
InChI
InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)

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

Work with 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid

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

[2,2′-Bipyridine]-4-carboxylic acid1748-89-671 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-969 % similar Lutidinic acid499-80-961 % similar 2-Fluoroisonicotinic acid402-65-359 % similar 2-Chloroisonicotinic acid6313-54-857 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-653 % similar 2-Nitro-4-pyridinecarboxylic acid33225-74-050 % similar Isonicotinic acid55-22-150 % similar

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

Elsewhere

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