2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde

C18H18N2O4 — CID 86299554

IUPAC2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1
InChIInChI=1S/C18H18N2O4/c21-7-14-15(22)4-1-5-16(14)24-8-13-3-2-6-19-17(13)20-9-18(10-20)11-23-12-18/h1-7,22H,8-12H2
InChIKeyACUKYPHVFMLQJD-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.02
Rot. Bonds5

About 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde

2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 86299554) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID86299554
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1
InChIInChI=1S/C18H18N2O4/c21-7-14-15(22)4-1-5-16(14)24-8-13-3-2-6-19-17(13)20-9-18(10-20)11-23-12-18/h1-7,22H,8-12H2
InChIKeyACUKYPHVFMLQJD-UHFFFAOYSA-N
XLogP2.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.02
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-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 86299554) is 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde is O=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.
What is the InChIKey of 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is ACUKYPHVFMLQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-7-14-15(22)4-1-5-16(14)24-8-13-3-2-6-19-17(13)20-9-18(10-20)11-23-12-18/h1-7,22H,8-12H2.
What are the key properties of 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde?
2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 326.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 86299554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).