2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol

C48H53FN6O12 — CID 158608029

About 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol

2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol (PubChem CID 158608029) has the molecular formula C48H53FN6O12 and a molecular weight of 924.98 g/mol. Its IUPAC name is 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol
• PubChem CID: 158608029
• Molecular Formula: C48H53FN6O12
• Molecular Weight: 924.98 g/mol
• Exact Mass: 924.37
• IUPAC Name: 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol
• SMILES: C1NCC12COC2.COC(=O)c1cccnc1F.O=Cc1c(O)cccc1O.O=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.OCc1cccnc1N1CC2(COC2)C1
• InChI: InChI=1S/C18H18N2O4.C11H14N2O2.C7H6FNO2.C7H6O3.C5H9NO/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;14-4-9-2-1-3-12-10(9)13-5-11(6-13)7-15-8-11;1-11-7(10)5-3-2-4-9-6(5)8;8-4-5-6(9)2-1-3-7(5)10;1-5(2-6-1)3-7-4-5/h1-7,22H,8-12H2;1-3,14H,4-8H2;2-4H,1H3;1-4,9-10H;6H,1-4H2
• InChIKey: HWMBRRZPSGMQFJ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 235.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.98
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol?

The IUPAC name of 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol (CID 158608029) is 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol.

What is the SMILES notation for 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol?

The canonical SMILES for 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol is C1NCC12COC2.COC(=O)c1cccnc1F.O=Cc1c(O)cccc1O.O=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.OCc1cccnc1N1CC2(COC2)C1.

What is the InChIKey of 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol?

The InChIKey is HWMBRRZPSGMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4.C11H14N2O2.C7H6FNO2.C7H6O3.C5H9NO/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;14-4-9-2-1-3-12-10(9)13-5-11(6-13)7-15-8-11;1-11-7(10)5-3-2-4-9-6(5)8;8-4-5-6(9)2-1-3-7(5)10;1-5(2-6-1)3-7-4-5/h1-7,22H,8-12H2;1-3,14H,4-8H2;2-4H,1H3;1-4,9-10H;6H,1-4H2.

What are the key properties of 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol?

2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol has a molecular weight of 924.98 g/mol, XLogP of 3.95, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;2-oxa-6-azaspiro[3.3]heptane;[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 158608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).