2-(5-Bromopyridin-3-yl)-1,3-benzoxazole
Basic information
- CAS
1160274-30-5- Standard SMILES
Brc1cncc(-c2nc3ccccc3o2)c1- InChIKey
NCMWYKJHPFRWOY-UHFFFAOYSA-N- Molecular formula
- C12H7BrN2O
- Average molar mass
- 275.1 g/mol
- Monoisotopic mass
- 273.97418
Names & identifiers
- Preferred name
- 2-(5-Bromopyridin-3-yl)-1,3-benzoxazole
- IUPAC
- 2-(5-bromo-3-pyridinyl)-1,3-benzoxazole
- English name
- 2-(5-bromopyridin-3-yl)-1,3-benzoxazole
- Molecular formula
- C12H7BrN2O
- Molecular weight
- 275.1
Names & synonyms
1160274-30-52-(5-bromopyridin-3-yl)-1,3-benzoxazole2-(5-bromopyridin-3-yl)benzo[d]oxazole2-(5-bromo-3-pyridyl)-1,3-benzoxazolestarbld00226552-(5-bromo-3-pyridinyl)-1,3-benzoxazoleSCHEMBL2284403NCMWYKJHPFRWOY-UHFFFAOYSA-NBBL009503MFCD11855590STK498956AKOS000113883
Show more names
Benzoxazole, 2-(5-bromo-3-pyridinyl)-
VS-02090AP-970/43482413
Database identifiers
- CAS
1160274-30-5- PubChem CID
- 25239477
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 362.9 · 362.9±32.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- 1.1 · 1.10±0.21(Predicted)
Related reactions
3 records
Compound notes
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