6-Iodo-3-methyl-3H-imidazo[4,5-b]pyridine
Basic information
- CAS
1138444-15-1- Standard SMILES
Cn1cnc2cc(I)cnc21- InChIKey
ZPYNEWBMMLGARD-UHFFFAOYSA-N- Molecular formula
- C7H6IN3
- Average molar mass
- 259.05 g/mol
- Monoisotopic mass
- 258.96064
Names & identifiers
- Preferred name
- 6-Iodo-3-methyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- 6-iodo-3-methylimidazo[4,5-b]pyridine
- English name
- 6-Iodo-3-methyl-3H-imidazo[4,5-b]pyridine
- Molecular formula
- C7H6IN3
- Molecular weight
- 259.05
Names & synonyms
6-Iodo-3-methyl-3H-imidazo[4,5-b]pyridine1138444-15-16-iodo-3-methylimidazo[4,5-b]pyridine3H-Imidazo[4,5-b]pyridine, 6-iodo-3-methyl-MFCD118576856-iodo-3-methyl-imidazo[4,5-b]pyridineSCHEMBL418650DTXSID70673866AKOS015853618BS-14643DA-19150CS-0081757
Show more names
D74414F3219996-Iodo-3-methyl-3H-imidazo[4,5-b]pyridine, AldrichCPR
Database identifiers
- CAS
1138444-15-1- PubChem CID
- 46736780
- DTXSID
DTXSID70673866
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 358 · 358.0±45.0 °C(Predicted)
- Density
- 2.07 · 2.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.91 · 3.91±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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