Basic information
- CAS
1353855-48-7- Standard SMILES
Brc1ncc(-c2ccncc2)cn1- InChIKey
UIOJRZQIAAKAOV-UHFFFAOYSA-N- Molecular formula
- C9H6BrN3
- Average molar mass
- 236.07 g/mol
- Monoisotopic mass
- 234.97451
Names & identifiers
- Preferred name
- 2-Bromo-5-(pyridin-4-YL)pyrimidine
- IUPAC
- 2-bromo-5-pyridin-4-ylpyrimidine
Names & synonyms
2-BROMO-5-(PYRIDIN-4-YL)PYRIMIDINE1353855-48-7TQP12602-Bromo-5-(4-pyridyl)pyrimidineDTXSID0012988082-Bromo-5-(4-pyridinyl)pyrimidineAKOS015942310CS-43219
Database identifiers
- CAS
1353855-48-7- PubChem CID
- 66520181
- DTXSID
DTXSID001298808
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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