2-(5-Chloromethyl-1H-imidazol-2-YL)pyridine
Basic information
- CAS
1053657-25-2- Standard SMILES
ClCc1cnc(-c2ccccn2)[nH]1- InChIKey
QQDYNVVUOHGDLS-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.040675
Names & identifiers
- Preferred name
- 2-(5-Chloromethyl-1H-imidazol-2-YL)pyridine
- IUPAC
- 2-[5-(chloromethyl)-1H-imidazol-2-yl]pyridine
- English name
- 2-(5-Chloromethyl-1H-imidazol-2-yl)pyridine
- Molecular formula
- C9H8ClN3
- Molecular weight
- 193.63
Names & synonyms
2-(5-CHLOROMETHYL-1H-IMIDAZOL-2-YL)PYRIDINE1053657-25-2MFCD105683352-[5-(chloromethyl)-1H-imidazol-2-yl]pyridine2-(5-(Chloromethyl)-1H-imidazol-2-yl)pyridineDTXSID201254034SBB091644AKOS012409885AS-57695-(chloromethyl)-2-(2-pyridyl)imidazoleF316492Pyridine, 2-[5-(chloromethyl)-1H-imidazol-2-yl]-
Database identifiers
- CAS
1053657-25-2- PubChem CID
- 57361981
- DTXSID
DTXSID201254034
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 444.5 · 444.5±25.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 11.37 · 11.37±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
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Related reactions
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Compound notes
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