4-Pyridinecarboxylic acid, 2-[4-[[[1-(2-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-1-piperidinyl]-
Basic information
- CAS
2199670-00-1- Standard SMILES
O=C(O)c1ccnc(N2CCC(NCc3cn(-c4ccc(F)cc4Cl)nn3)CC2)c1- InChIKey
FISNTTDGXAVRJU-UHFFFAOYSA-N- Molecular formula
- C20H20ClFN6O2
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.1320298
Names & identifiers
- Preferred name
- 4-Pyridinecarboxylic acid, 2-[4-[[[1-(2-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-1-piperidinyl]-
- IUPAC
- 2-[4-[[1-(2-chloro-4-fluorophenyl)triazol-4-yl]methylamino]piperidin-1-yl]pyridine-4-carboxylic acid
Names & synonyms
DTXSID2011068552199670-00-14-Pyridinecarboxylic acid, 2-[4-[[[1-(2-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-1-piperidinyl]-
Database identifiers
- CAS
2199670-00-1- PubChem CID
- 165367265
- DTXSID
DTXSID201106855
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…