Basic information
- Standard SMILES
O=C(O)c1ccncc1Nc1noc2ccccc12- InChIKey
BISRMYZLPKDLOS-UHFFFAOYSA-N- Molecular formula
- C13H9N3O3
- Average molar mass
- 255.23 g/mol
- Monoisotopic mass
- 255.06439116
Names & identifiers
- Preferred name
- 3-(1,2-Benzoxazol-3-ylamino]pyridine-4-carboxylic acid
- IUPAC
- 3-(1,2-benzoxazol-3-ylamino)pyridine-4-carboxylic acid
Names & synonyms
3-(1,2-benzoxazol-3-ylamino]pyridine-4-carboxylic acidCHEMBL5926437SCHEMBL15792314BISRMYZLPKDLOS-UHFFFAOYSA-NUS10040779, Example 3BDBM277706
Database identifiers
- PubChem CID
- 76282045
- ChEMBL
CHEMBL5926437
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
1 records
Compound notes
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