2-Chloro-4-methoxypyrimidine-5-carbonitrile
Basic information
- CAS
1106295-93-5- Standard SMILES
COc1nc(Cl)ncc1C#N- InChIKey
YIGFAXAWUVBGGI-UHFFFAOYSA-N- Molecular formula
- C6H4ClN3O
- Average molar mass
- 169.57 g/mol
- Monoisotopic mass
- 169.0042895
Names & identifiers
- Preferred name
- 2-Chloro-4-methoxypyrimidine-5-carbonitrile
- IUPAC
- 2-chloro-4-methoxypyrimidine-5-carbonitrile
- English name
- 2-Chloro-4-Methoxy-pyriMidine-5-carbonitrile
- Molecular formula
- C6H4ClN3O
- Molecular weight
- 169.57
Names & synonyms
2-Chloro-4-methoxypyrimidine-5-carbonitrile1106295-93-52-Chloro-4-methoxy-pyrimidine-5-carbonitrileMFCD16250650SCHEMBL2527306DTXSID70624838AKOS015920113CS-W000787GS-6436SB57320H10312FT-0706410
Show more names
2-chloro-4-methoxy-5-Pyrimidinecarbonitrile5-Pyrimidinecarbonitrile, 2-chloro-4-methoxy-
A894870DA-26560SY056953F079375
Database identifiers
- CAS
1106295-93-5- PubChem CID
- 22326771
- DTXSID
DTXSID70624838
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 385.1 · 385.1±22.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.63 · -2.63±0.29(Predicted)
- Appearance
- White to off-white Solid
- HS Code
- 2933599590 · 2933599590
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
- 2933599590
Chemistry & industry
Applications
Uses2-Chloro-4-methoxypyrimidine-5-carbonitrile
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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