Basic information
- CAS
890094-60-7- Standard SMILES
O=[N+]([O-])c1cnc(Cl)nc1N1CCCCC1- InChIKey
OPIJRMWHLGKACW-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O2
- Average molar mass
- 242.66 g/mol
- Monoisotopic mass
- 242.0570533
Names & identifiers
- Preferred name
- 2-Chloro-5-nitro-4-(piperidin-1-yl)pyrimidine
- IUPAC
- 2-chloro-5-nitro-4-piperidin-1-ylpyrimidine
- English name
- 2-Chloro-5-nitro-4-(piperidin-1-yl)pyrimidine
- Molecular formula
- C9H11ClN4O2
- Molecular weight
- 242.66
Names & synonyms
2-Chloro-5-nitro-4-(piperidin-1-yl)pyrimidine890094-60-72-chloro-5-nitro-4-piperidin-1-ylpyrimidine2-chloro-5-nitro-4-(1-piperidinyl)PyrimidineSCHEMBL1710259DTXSID70428070OPIJRMWHLGKACW-UHFFFAOYSA-NAKOS002663672DB-078288Pyrimidine, 2-chloro-5-nitro-4-(1-piperidinyl)-
Database identifiers
- CAS
890094-60-7- PubChem CID
- 7147257
- DTXSID
DTXSID70428070
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 441.8 · 441.8±30.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 1.5 · 1.50±0.40(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
2 records
Compound notes
Loading…