5-Chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-pyrrolo[2,3-c]pyridine
Completing data — refresh the page later to see the latest
Basic information
- CAS
131084-47-4- Standard SMILES
Clc1cc2c(C3=CCNCC3)c[nH]c2cn1- InChIKey
XAKYPMVTFKWJGK-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0719751
Names & identifiers
- Preferred name
- 5-Chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-pyrrolo[2,3-c]pyridine
- IUPAC
- 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-c]pyridine
- English name
- 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-c]pyridine
- Molecular formula
- C12H12ClN3
- Molecular weight
- 233.7
Names & synonyms
5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-pyrrolo[2,3-c]pyridine131084-47-4F901081H-Pyrrolo[2,3-c]pyridine, 5-chloro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
Database identifiers
- CAS
131084-47-4- PubChem CID
- 14822062
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 462.2 · 462.2±45.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…