4-Iodo-7-azaindole

C7H5IN2CAS 319474-34-5244.04 g/mol

Open in Covalent MOL file
HNNI
Aryl halide

Properties

Molecular formula
C7H5IN2
Molar mass
244.04 g/mol
Exact mass
243.9497 Da
logP
2.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
319474-34-5
SMILES
C1=CNC2=NC=CC(=C21)I
InChIKey
PCHGYPNRADCIKG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)

Weigh it out

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Names and synonyms

1 names
  • 4-Iodo-1H-pyrrolo[2,3-b]pyridine

Work with 4-Iodo-7-azaindole

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-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-860 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-255 % similar 4-Chloro-7-azaindole55052-28-355 % similar 4-Iodo-7-aza-1H-indazole861881-02-953 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-950 % similar 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-350 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-650 % similar 5-Fluoro-4-iodo-1H-pyrrolo[2,3-B]pyridine1015610-23-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-7-azaindole23616-57-1 6-Iodo-1H-indazole261953-36-0 5-Iodo-1H-indazole55919-82-9 3-Iodo-1H-indazole66607-27-0

Elsewhere

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