4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine
Properties
- Molecular formula
- C6H3ClIN3
- Molar mass
- 279.47 g/mol
- Exact mass
- 278.9060 Da
- logP
- 2.22Crippen estimate
- Polar surface area
- 41.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed89.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
123148-78-7SMILES
C1=C(C2=C(N1)N=CN=C2Cl)IInChIKey
CBWBJFJMNBPWAL-UHFFFAOYSA-NInChI
InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 6-Chloro-7-iodo-7-deazapurine
Work with 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine
Similar compounds
4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-664 % similar
4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-863 % similar
2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine1012785-51-159 % similar
5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-559 % similar
4-Chloro-5-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidine1207543-16-554 % similar
4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-154 % similar
4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-854 % similar
4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-953 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.