6-chloro-2-iodo-1H-pyrrolo[3,2-b]pyridine
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Basic information
- CAS
1260383-53-6- Standard SMILES
Clc1cnc2cc(I)[nH]c2c1- InChIKey
XJDGUNJWYZVXGV-UHFFFAOYSA-N- Molecular formula
- C7H4ClIN2
- Average molar mass
- 278.48 g/mol
- Monoisotopic mass
- 277.91077
Names & identifiers
- Preferred name
- 6-chloro-2-iodo-1H-pyrrolo[3,2-b]pyridine
- IUPAC
- 6-chloro-2-iodo-1H-pyrrolo[3,2-b]pyridine
- English name
- 6-Chloro-2-iodo-4-azaindole
- Molecular formula
- C7H4ClIN2
- Molecular weight
- 278.48
Names & synonyms
6-chloro-2-iodo-1H-pyrrolo[3,2-b]pyridine1260383-53-66-Chloro-2-iodo-4-azaindoleMFCD18381347BS-52358E77251F8479301H-Pyrrolo[3,2-b]pyridine, 6-chloro-2-iodo-
Database identifiers
- CAS
1260383-53-6- PubChem CID
- 123135498
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 373.9 · 373.9±37.0 °C(Predicted)
- Density
- 2.156 · 2.156±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 12.33 · 12.33±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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