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

C16H11N3O2CAS 148332-36-9277.28 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C16H11N3O2
Molar mass
277.28 g/mol
Exact mass
277.0851 Da
logP
2.90Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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
148332-36-9
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C(=O)O
InChIKey
ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

Weigh it out

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Work with 2,2':6',2''-Terpyridine-4'-carboxylic 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 acid1748-89-676 % similar 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-576 % similar 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid216018-58-571 % similar 4-(2-Pyridyl)benzoic acid4385-62-064 % similar 2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid933988-22-862 % similar 2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-359 % similar Picolinic acid98-98-651 % similar 5-(2-Pyridyl)thiophene-2-carboxylic acid119082-97-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Indirubin-3'-monoxime160807-49-8

Elsewhere

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