Basic information
- CAS
70022-05-8- Standard SMILES
Nc1ccc(C(=O)OCc2cccnc2)cn1- InChIKey
NQXJJZAGIYNYLT-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- Nicotinyl 6-aminonicotinate
- IUPAC
- pyridin-3-ylmethyl 6-aminopyridine-3-carboxylate
Names & synonyms
Nicotinyl 6-aminonicotinate6SRZ7QD3ST3-Pyridinecarboxylic acid, 6-amino-, 3-pyridinylmethyl ester70022-05-8RefChem:165759Pyridin-3-ylmethyl 6-aminopyridine-3-carboxylateUNII-6SRZ7QD3STSCHEMBL11192325BMY-30119AKOS022656903
Database identifiers
- CAS
70022-05-8- PubChem CID
- 155342
- UNII
- 6SRZ7QD3ST
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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