2-(4-Cyano-phenoxy)-nicotinic acid methyl ester

HCID 53920004

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Basic information

CAS: 214758-91-5
Standard SMILES: COC(=O)c1cccnc1Oc1ccc(C#N)cc1
InChIKey: IJTSQATUNRGOTJ-UHFFFAOYSA-N
Molecular formula: C14H10N2O3
Average molar mass: 254.24 g/mol
Monoisotopic mass: 254.06914219

Names & identifiers

Preferred name: 2-(4-Cyano-phenoxy)-nicotinic acid methyl ester
IUPAC: methyl 2-(4-cyanophenoxy)pyridine-3-carboxylate

Names & synonyms

2-(4-Cyano-phenoxy)-nicotinic acid methyl esterSCHEMBL7366718IJTSQATUNRGOTJ-UHFFFAOYSA-NDTXSID801241099214758-91-5Methyl 2-(4-cyanophenoxy)-3-pyridinecarboxylatemethyl 2-(4-cyanophenoxy)pyridine-3-carboxylate

Database identifiers

CAS: 214758-91-5
PubChem CID: 53920004
DTXSID: DTXSID801241099

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 355

Related reactions

2 records

New reaction record

HRID 843984As productuspto-grants-2002_04

HRID 961886As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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