4-Iodo-7-aza-1H-indazole

C₆H₄IN₃CAS 861881-02-9245.02 g/mol

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Properties

Molecular formula: C₆H₄IN₃
Molar mass: 245.02 g/mol
Exact mass: 244.9450 Da
logP: 1.56Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

861881-02-9

SMILES

C1=CN=C2C(=C1I)C=NN2

InChIKey

PEHWWSPOLYSDBW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4IN3/c7-5-1-2-8-6-4(5)3-9-10-6/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

4-Iodo-1H-pyrazolo[3,4-b]pyridine

Work with 4-Iodo-7-aza-1H-indazole

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-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-056 % similar 4-Bromo-1H-pyrazolo(3,4-b)pyridine856859-49-956 % similar 4-Iodo-7-azaindole319474-34-553 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-844 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-842 % similar 3-Iodo-7-azaindole23616-57-139 % similar 6-Bromo-4-iodo-1H-indazole885519-41-537 % similar 1H-Indazole,6-chloro-4-iodo-885519-56-237 % 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 6-Iodo-[1,2,4]triazolo[1,5,A]pyridine614750-84-4

Elsewhere

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