2-(Trifluoromethyl)-3H-imidazo[4,5-c]pyridine
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Basic information
- CAS
19918-36-6- Standard SMILES
FC(F)(F)c1nc2ccncc2[nH]1- InChIKey
ATGHGGBCGLFTCY-UHFFFAOYSA-N- Molecular formula
- C7H4F3N3
- Average molar mass
- 187.12 g/mol
- Monoisotopic mass
- 187.03573163
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)-3H-imidazo[4,5-c]pyridine
- IUPAC
- 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
- English name
- 2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine
- Molecular formula
- C7H4F3N3
- Molecular weight
- 187.12
Names & synonyms
2-(Trifluoromethyl)-3H-imidazo[4,5-c]pyridine19918-36-62-(trifluoromethyl)-1H-imidazo[4,5-c]pyridineSCHEMBL2093522SCHEMBL4761886SCHEMBL9727035SCHEMBL19876676SCHEMBL29546443SCHEMBL30130681DTXSID30345431AKOS002020905AKOS015904216
Show more names
3H-Imidazo[4,5-c]pyridine, 2-(trifluoromethyl)-
CCG-185441Imidazo[4,5-c]pyridine, 2-trifluoromethyl-2-(Trifluoromethyl)-3H-imidazo[4,5-c]pyridine #
Database identifiers
- CAS
19918-36-6- PubChem CID
- 604479
- DTXSID
DTXSID30345431- Nikkaji
- J782.161A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
LogP0.94
Physicochemical properties
- Melting point
- 290 · 290-291 °C(Solv: water (7732-18-5))
- Boiling point
- 297.9 · 297.9±40.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- pka
- 6.72 · 6.72±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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