(5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide

C108H101Br2N19O34S5 — CID 161057320

About (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide

(5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide (PubChem CID 161057320) has the molecular formula C108H101Br2N19O34S5 and a molecular weight of 2529.24 g/mol. Its IUPAC name is (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide
• PubChem CID: 161057320
• Molecular Formula: C108H101Br2N19O34S5
• Molecular Weight: 2529.24 g/mol
• Exact Mass: 2525.37
• IUPAC Name: (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide
• SMILES: CC(=O)Oc1nc(Br)c2cccnc2c1O.CC(=O)Oc1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1.CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1.CC(=O)Oc1ncc2cccnc2c1O.COC(=O)c1nc(C)c2cccnc2c1O.COC(=O)c1nc(C)c2cccnc2c1O.COC(=O)c1ncc2cccnc2c1O.O=S1(=O)CCCCN1
• InChI: InChI=1S/C21H21N3O7S2.C17H13BrN2O5S.C14H15N3O5S.2C11H10N2O3.C10H7BrN2O3.2C10H8N2O3.C4H9NO2S/c1-14-7-9-16(10-8-14)33(28,29)31-19-18-17(6-5-11-22-18)20(23-21(19)30-15(2)25)24-12-3-4-13-32(24,26)27;1-10-5-7-12(8-6-10)26(22,23)25-15-14-13(4-3-9-19-14)16(18)20-17(15)24-11(2)21;1-9(18)22-14-12(19)11-10(5-4-6-15-11)13(16-14)17-7-2-3-8-23(17,20)21;2*1-6-7-4-3-5-12-8(7)10(14)9(13-6)11(15)16-2;1-5(14)16-10-8(15)7-6(9(11)13-10)3-2-4-12-7;1-15-10(14)8-9(13)7-6(5-12-8)3-2-4-11-7;1-6(13)15-10-9(14)8-7(5-12-10)3-2-4-11-8;6-8(7)4-2-1-3-5-8/h5-11H,3-4,12-13H2,1-2H3;3-9H,1-2H3;4-6,19H,2-3,7-8H2,1H3;2*3-5,14H,1-2H3;2-4,15H,1H3;2-5,13H,1H3;2-5,14H,1H3;5H,1-4H2
• InChIKey: UCXQHSFNBKWVDN-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 745.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.24
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide?

The IUPAC name of (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide (CID 161057320) is (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide.

What is the SMILES notation for (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide?

The canonical SMILES for (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide is CC(=O)Oc1nc(Br)c2cccnc2c1O.CC(=O)Oc1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1.CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1.CC(=O)Oc1ncc2cccnc2c1O.COC(=O)c1nc(C)c2cccnc2c1O.COC(=O)c1nc(C)c2cccnc2c1O.COC(=O)c1ncc2cccnc2c1O.O=S1(=O)CCCCN1.

What is the InChIKey of (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide?

The InChIKey is UCXQHSFNBKWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O7S2.C17H13BrN2O5S.C14H15N3O5S.2C11H10N2O3.C10H7BrN2O3.2C10H8N2O3.C4H9NO2S/c1-14-7-9-16(10-8-14)33(28,29)31-19-18-17(6-5-11-22-18)20(23-21(19)30-15(2)25)24-12-3-4-13-32(24,26)27;1-10-5-7-12(8-6-10)26(22,23)25-15-14-13(4-3-9-19-14)16(18)20-17(15)24-11(2)21;1-9(18)22-14-12(19)11-10(5-4-6-15-11)13(16-14)17-7-2-3-8-23(17,20)21;2*1-6-7-4-3-5-12-8(7)10(14)9(13-6)11(15)16-2;1-5(14)16-10-8(15)7-6(9(11)13-10)3-2-4-12-7;1-15-10(14)8-9(13)7-6(5-12-8)3-2-4-11-7;1-6(13)15-10-9(14)8-7(5-12-10)3-2-4-11-8;6-8(7)4-2-1-3-5-8/h5-11H,3-4,12-13H2,1-2H3;3-9H,1-2H3;4-6,19H,2-3,7-8H2,1H3;2*3-5,14H,1-2H3;2-4,15H,1H3;2-5,13H,1H3;2-5,14H,1H3;5H,1-4H2.

What are the key properties of (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide?

(5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide has a molecular weight of 2529.24 g/mol, XLogP of 14.11, 16 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-8-hydroxy-1,6-naphthyridin-7-yl) acetate;[5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridin-7-yl] acetate;[5-(1,1-dioxothiazinan-2-yl)-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridin-7-yl] acetate;(8-hydroxy-1,6-naphthyridin-7-yl) acetate;bis(methyl 8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylate);methyl 8-hydroxy-1,6-naphthyridine-7-carboxylate;thiazinane 1,1-dioxide is sourced from PubChem (CID 161057320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).