2-Iodo-1H-pyrrolo[3,2-c]pyridine
Basic information
- CAS
1227269-14-8- Standard SMILES
Ic1cc2cnccc2[nH]1- InChIKey
CVHPZAJQSHPDRC-UHFFFAOYSA-N- Molecular formula
- C7H5IN2
- Average molar mass
- 244.03 g/mol
- Monoisotopic mass
- 243.94975
Names & identifiers
- Preferred name
- 2-Iodo-1H-pyrrolo[3,2-c]pyridine
- IUPAC
- 2-iodo-1H-pyrrolo[3,2-c]pyridine
- English name
- 2-Iodo-5-azaindole
- Molecular formula
- C7H5IN2
- Molecular weight
- 244.03
Names & synonyms
2-Iodo-1H-pyrrolo[3,2-c]pyridine1227269-14-82-Iodo-5-azaindole1H-Pyrrolo[3,2-c]pyridine, 2-iodo-MFCD16875868SCHEMBL20004291DTXSID501301276AKOS027254097AS-61672SY259810DB-228141CS-0155571
Show more names
I10139F501125
Database identifiers
- CAS
1227269-14-8- PubChem CID
- 74891978
- DTXSID
DTXSID501301276- EC Number
- 191-809-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 380.5 · 380.5±22.0 °C(Predicted)
- Density
- 2.082 · 2.082±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 13.76 · 13.76±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
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Compound notes
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