4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine

C7H4ClIN2CAS 869335-73-9278.48 g/mol

Open in Covalent MOL file
NClNHI
Aryl halide

Properties

Molecular formula
C7H4ClIN2
Molar mass
278.48 g/mol
Exact mass
277.9108 Da
logP
2.82Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
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
869335-73-9
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)I
InChIKey
IDEYYMSXMIFGMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)

Weigh it out

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

Work with 4-Chloro-3-iodo-1H-pyrrolo[2,3-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

4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine688782-02-765 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine1000340-39-560 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-860 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-955 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-753 % similar 3-Iodo-7-azaindole23616-57-147 % similar 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine1012785-51-145 % similar 4-Chloro-7-azaindole55052-28-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Indazole,6-chloro-4-iodo-885519-56-2 4-Chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine940948-29-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook