2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride

C102H116ClFN12O24 — CID 164996051

About 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride

2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride (PubChem CID 164996051) has the molecular formula C102H116ClFN12O24 and a molecular weight of 1948.56 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride.

Molecular Properties

• Compound Name: 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride
• PubChem CID: 164996051
• Molecular Formula: C102H116ClFN12O24
• Molecular Weight: 1948.56 g/mol
• Exact Mass: 1946.79
• IUPAC Name: 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride
• SMILES: C1CC2CNCC1O2.CC1(C)OC(=O)c2c(O)cccc2O1.CC1(C)OC(=O)c2c(OCc3cccnc3N3CC4CCC(C3)O4)cccc2O1.COC(=O)c1cccnc1F.COC(=O)c1cccnc1N1CC2CCC(C1)O2.COC(=O)c1cccnc1N1CC2CCC(C1)O2.O=C(Cl)c1cccnc1N1CC2CCC(C1)O2.O=Cc1c(O)cccc1OCc1cccnc1N1CC2CCC(C1)O2
• InChI: InChI=1S/C22H24N2O5.C19H20N2O4.2C13H16N2O3.C12H13ClN2O2.C10H10O4.C7H6FNO2.C6H11NO/c1-22(2)28-18-7-3-6-17(19(18)21(25)29-22)26-13-14-5-4-10-23-20(14)24-11-15-8-9-16(12-24)27-15;22-11-16-17(23)4-1-5-18(16)24-12-13-3-2-8-20-19(13)21-9-14-6-7-15(10-21)25-14;2*1-17-13(16)11-3-2-6-14-12(11)15-7-9-4-5-10(8-15)18-9;13-11(16)10-2-1-5-14-12(10)15-6-8-3-4-9(7-15)17-8;1-10(2)13-7-5-3-4-6(11)8(7)9(12)14-10;1-11-7(10)5-3-2-4-9-6(5)8;1-2-6-4-7-3-5(1)8-6/h3-7,10,15-16H,8-9,11-13H2,1-2H3;1-5,8,11,14-15,23H,6-7,9-10,12H2;2*2-3,6,9-10H,4-5,7-8H2,1H3;1-2,5,8-9H,3-4,6-7H2;3-5,11H,1-2H3;2-4H,1H3;5-7H,1-4H2
• InChIKey: HOJPWUQZEBWIDK-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 403.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.56
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride?

The IUPAC name of 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride (CID 164996051) is 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride.

What is the SMILES notation for 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride?

The canonical SMILES for 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride is C1CC2CNCC1O2.CC1(C)OC(=O)c2c(O)cccc2O1.CC1(C)OC(=O)c2c(OCc3cccnc3N3CC4CCC(C3)O4)cccc2O1.COC(=O)c1cccnc1F.COC(=O)c1cccnc1N1CC2CCC(C1)O2.COC(=O)c1cccnc1N1CC2CCC(C1)O2.O=C(Cl)c1cccnc1N1CC2CCC(C1)O2.O=Cc1c(O)cccc1OCc1cccnc1N1CC2CCC(C1)O2.

What is the InChIKey of 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride?

The InChIKey is HOJPWUQZEBWIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5.C19H20N2O4.2C13H16N2O3.C12H13ClN2O2.C10H10O4.C7H6FNO2.C6H11NO/c1-22(2)28-18-7-3-6-17(19(18)21(25)29-22)26-13-14-5-4-10-23-20(14)24-11-15-8-9-16(12-24)27-15;22-11-16-17(23)4-1-5-18(16)24-12-13-3-2-8-20-19(13)21-9-14-6-7-15(10-21)25-14;2*1-17-13(16)11-3-2-6-14-12(11)15-7-9-4-5-10(8-15)18-9;13-11(16)10-2-1-5-14-12(10)15-6-8-3-4-9(7-15)17-8;1-10(2)13-7-5-3-4-6(11)8(7)9(12)14-10;1-11-7(10)5-3-2-4-9-6(5)8;1-2-6-4-7-3-5(1)8-6/h3-7,10,15-16H,8-9,11-13H2,1-2H3;1-5,8,11,14-15,23H,6-7,9-10,12H2;2*2-3,6,9-10H,4-5,7-8H2,1H3;1-2,5,8-9H,3-4,6-7H2;3-5,11H,1-2H3;2-4H,1H3;5-7H,1-4H2.

What are the key properties of 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride?

2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride has a molecular weight of 1948.56 g/mol, XLogP of 12.98, 16 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]-1,3-benzodioxin-4-one;5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;2-hydroxy-6-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methoxy]benzaldehyde;methyl 2-fluoropyridine-3-carboxylate;bis(methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylate);8-oxa-3-azabicyclo[3.2.1]octane;2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 164996051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).