3-Iodo-1H-pyrazolo(3,4-b)pyridine

C6H4IN3CAS 117007-52-0245.02 g/mol

Open in Covalent MOL file
NHNNI
Aryl halide

Properties

Molecular formula
C6H4IN3
Molar mass
245.02 g/mol
Exact mass
244.9450 Da
logP
1.56Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
117007-52-0
SMILES
C1=CC2=C(NN=C2N=C1)I
InChIKey
TYXAGVKIICJXGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 3-Iodo-7-aza-1H-azaindazole

Work with 3-Iodo-1H-pyrazolo(3,4-b)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

1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-956 % similar 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-556 % similar 3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-056 % similar 3-Iodo-1H-indazole66607-27-052 % similar 1H-Pyrazolo[3,4-B]pyridine-3-carbonitrile956010-88-151 % similar 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-447 % similar 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-347 % similar 1H-1,2,3-Triazolo(4,5-b)pyridine273-34-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Iodo-[1,2,4]triazolo[1,5,A]pyridine614750-84-4 4-Iodo-7-aza-1H-indazole861881-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook