6-oxo-5-pyridin-3-yl-1H-pyridine-2-carboxylic acid
Basic information
- CAS
1214329-42-6- Standard SMILES
O=C(O)c1ccc(-c2cccnc2)c(=O)[nH]1- InChIKey
QNNLGRQZKRUBBX-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.05349212
Names & identifiers
- Preferred name
- 6-oxo-5-pyridin-3-yl-1H-pyridine-2-carboxylic acid
- IUPAC
- 6-oxo-5-pyridin-3-yl-1H-pyridine-2-carboxylic acid
Names & synonyms
1214329-42-6DTXSID7012171082-Oxo-1,2-dihydro[3,3'-bipyridine]-6-carboxylic acid1,2-Dihydro-2-oxo[3,3a(2)-bipyridine]-6-carboxylic acid
Database identifiers
- CAS
1214329-42-6- PubChem CID
- 46317303
- DTXSID
DTXSID701217108
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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