Basic information
- CAS
767265-78-1- Standard SMILES
COC(=O)c1cccnc1NCc1ccc(Cl)cc1- InChIKey
VHHDRSWIHZVYBN-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.0665554
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorobenzylamino)nicotinate
- IUPAC
- methyl 2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
Names & synonyms
methyl 2-(4-chlorobenzylamino)nicotinateSCHEMBL7823349VHHDRSWIHZVYBN-UHFFFAOYSA-NDTXSID301179809AKOS009140554767265-78-1Methyl 2-[[(4-chlorophenyl)methyl]amino]-3-pyridinecarboxylateMethyl 2-{[(4-chlorophenyl)methyl]amino}pyridine-3-carboxylate
Database identifiers
- CAS
767265-78-1- PubChem CID
- 54392002
- DTXSID
DTXSID301179809
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
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