6-Iodo-[1,2,4]triazolo[1,5,A]pyridine

C6H4IN3CAS 614750-84-4245.02 g/mol

Open in Covalent MOL file
NNNI
Aryl halide

Properties

Molecular formula
C6H4IN3
Molar mass
245.02 g/mol
Exact mass
244.9450 Da
logP
1.33Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
614750-84-4
SMILES
C1=CC2=NC=NN2C=C1I
InChIKey
CDWWPXNAXCMGFV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4IN3/c7-5-1-2-6-8-4-9-10(6)3-5/h1-4H

Weigh it out

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Names and synonyms

1 names
  • 6-Iodo-[1,2,4]triazolo[1,5-a]pyridine

Work with 6-Iodo-[1,2,4]triazolo[1,5,A]pyridine

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

6-Bromo-(1,2,4)triazolo(1,5-a)pyridine356560-80-055 % similar 2-Bromo-5-iodopyridine73290-22-938 % similar 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-536 % similar 2,5-Diiodopyridine116195-81-435 % similar 1-([1,2,4]Triazolo[1,5-A]pyridin-6-yl)-2-(6-methylpyridin-2-yl)ethane-1,2-dione356560-84-435 % similar 2-Fluoro-5-iodopyridine171197-80-133 % similar 1-Methyl-4-iodo-1H-pyrazole39806-90-133 % similar 2-Chloro-5-iodopyridine69045-79-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-0 4-Iodo-7-aza-1H-indazole861881-02-9

Elsewhere

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