Basic information
- Standard SMILES
Nc1cccc2c1N=C(c1cccnc1Br)CO2- InChIKey
QARCOOCOQRROHO-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3O
- Average molar mass
- 304.14 g/mol
Names & identifiers
- Preferred name
- 3-(2-Bromopyridin-3-yl)-2H-1,4-benzoxazin-5-amine
- IUPAC
- 3-(2-bromo-3-pyridinyl)-2H-1,4-benzoxazin-5-amine
Names & synonyms
SCHEMBL16036848QARCOOCOQRROHO-UHFFFAOYSA-N3-(2-Bromopyridin-3-yl)-2H-1,4-benzoxazin-5-amine
Database identifiers
- PubChem CID
- 90409656
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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