Methyl 2-formyl-6-(pyridin-2-ylmethoxy)nicotinate

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Basic information

CAS: 1779125-36-8
Standard SMILES: COC(=O)c1ccc(OCc2ccccn2)nc1C=O
InChIKey: YGLXGNFNLMWAML-UHFFFAOYSA-N
Molecular formula: C14H12N2O4
Average molar mass: 272.26 g/mol
Monoisotopic mass: 272.07970687

Names & identifiers

Preferred name: Methyl 2-formyl-6-(pyridin-2-ylmethoxy)nicotinate
IUPAC: methyl 2-formyl-6-(pyridin-2-ylmethoxy)pyridine-3-carboxylate

Names & synonyms

1779125-36-8Methyl 2-formyl-6-(pyridin-2-ylmethoxy)nicotinate2-Formyl-6-(pyridin-2-ylmethoxy)-nicotinic acid methyl esterDTXSID201146778Methyl2-formyl-6-(pyridin-2-ylmethoxy)nicotinateMethyl 2-formyl-6-[(pyridin-2-yl)methoxy]pyridine-3-carboxylate3-Pyridinecarboxylic acid, 2-formyl-6-(2-pyridinylmethoxy)-, methyl ester

Database identifiers

CAS: 1779125-36-8
PubChem CID: 97618399
DTXSID: DTXSID201146778

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 337

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Compound notes

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