Methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylate
Basic information
- CAS
61129-15-5- Standard SMILES
COC(=O)c1cc(Cl)nc2nc(Cl)nc(Cl)c12- InChIKey
VZGUZGFRIUKCIQ-UHFFFAOYSA-N- Molecular formula
- C9H4Cl3N3O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 290.936909
Names & identifiers
- Preferred name
- Methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
61129-15-5methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylateNSC269226SCHEMBL9545085DTXSID90313353NSC-269226
Database identifiers
- CAS
61129-15-5- PubChem CID
- 320726
- DTXSID
DTXSID90313353
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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