Basic information
- Standard SMILES
COC(=O)c1ccncc1-c1cccc(N)c1- InChIKey
ULEALRZDEYMHBC-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987762
Names & identifiers
- Preferred name
- Methyl 3-(3-aminophenyl)isonicotinate
- IUPAC
- methyl 3-(3-aminophenyl)pyridine-4-carboxylate
- English name
- 3-(3-Aminophenyl)-4-pyridinecarboxylicacidmethylester
- Molecular weight
- 0
Names & synonyms
344450-40-4Methyl 3-(3-aminophenyl)isonicotinateMethyl 3-(3-aminophenyl)pyridine-4-carboxylateSCHEMBL2897002DTXSID60463753ULEALRZDEYMHBC-UHFFFAOYSA-N3-(3-AMINOPHENYL)-4-PYRIDINECARBOXYLIC ACID METHYL ESTER
Database identifiers
- CAS
344450-40-4- PubChem CID
- 11368161
- DTXSID
DTXSID60463753
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Linked notes
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