3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
Basic information
- CAS
137840-06-3- Standard SMILES
O=C(O)C1=CNCC(C(=O)O)=C1- InChIKey
YIEDXDAMWYTGHE-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
- IUPAC
- 1,2-dihydropyridine-3,5-dicarboxylic acid
Names & synonyms
137840-06-33,5-Pyridinedicarboxylic acid, 1,2-dihydro-DTXSID30331071RefChem:272107DTXCID802821651,2-dihydropyridine-3,5-dicarboxylic AcidSCHEMBL33968691,2-dihydropyridine-3,5-dicarboxylic
Database identifiers
- CAS
137840-06-3- PubChem CID
- 434902
- DTXSID
DTXSID30331071
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 290
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…