2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde

C19H19NO5 — CID 90448314

IUPAC2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
SMILESCOc1ncccc1C1=C(COc2cccc(O)c2C=O)CCOC1
InChIInChI=1S/C19H19NO5/c1-23-19-14(4-3-8-20-19)16-12-24-9-7-13(16)11-25-18-6-2-5-17(22)15(18)10-21/h2-6,8,10,22H,7,9,11-12H2,1H3
InChIKeyXFQLLZOEIYDFEW-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.86
Rot. Bonds6

About 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde

2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde (PubChem CID 90448314) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
PubChem CID90448314
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
SMILESCOc1ncccc1C1=C(COc2cccc(O)c2C=O)CCOC1
InChIInChI=1S/C19H19NO5/c1-23-19-14(4-3-8-20-19)16-12-24-9-7-13(16)11-25-18-6-2-5-17(22)15(18)10-21/h2-6,8,10,22H,7,9,11-12H2,1H3
InChIKeyXFQLLZOEIYDFEW-UHFFFAOYSA-N
XLogP2.86
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde (CID 90448314) is 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde is COc1ncccc1C1=C(COc2cccc(O)c2C=O)CCOC1.
What is the InChIKey of 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde?
The InChIKey is XFQLLZOEIYDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-19-14(4-3-8-20-19)16-12-24-9-7-13(16)11-25-18-6-2-5-17(22)15(18)10-21/h2-6,8,10,22H,7,9,11-12H2,1H3.
What are the key properties of 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde has a molecular weight of 341.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 90448314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).