5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane

C48H67BrN8O6S2Sn — CID 157382868

About 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane

5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane (PubChem CID 157382868) has the molecular formula C48H67BrN8O6S2Sn and a molecular weight of 1114.86 g/mol. Its IUPAC name is 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane.

Molecular Properties

• Compound Name: 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane
• PubChem CID: 157382868
• Molecular Formula: C48H67BrN8O6S2Sn
• Molecular Weight: 1114.86 g/mol
• Exact Mass: 1114.28
• IUPAC Name: 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane
• SMILES: C.C.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3ccncc3)c2)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1.O=[N+]([O-])c1ncc(Br)cc1OCc1ccncc1
• InChI: InChI=1S/C17H16N4O3S.C11H8BrN3O3.C6H8NS.3C4H9.2CH4.Sn/c1-11(2)17-20-9-15(25-17)13-7-14(16(19-8-13)21(22)23)24-10-12-3-5-18-6-4-12;12-9-5-10(11(14-6-9)15(16)17)18-7-8-1-3-13-4-2-8;1-5(2)6-7-3-4-8-6;3*1-3-4-2;;;/h3-9,11H,10H2,1-2H3;1-6H,7H2;3,5H,1-2H3;3*1,3-4H2,2H3;2*1H4
• InChIKey: BLCAQCZWEQJECF-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 182.08 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1114.86
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane?

The IUPAC name of 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane (CID 157382868) is 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane.

What is the SMILES notation for 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane?

The canonical SMILES for 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane is C.C.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3ccncc3)c2)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1.O=[N+]([O-])c1ncc(Br)cc1OCc1ccncc1.

What is the InChIKey of 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane?

The InChIKey is BLCAQCZWEQJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S.C11H8BrN3O3.C6H8NS.3C4H9.2CH4.Sn/c1-11(2)17-20-9-15(25-17)13-7-14(16(19-8-13)21(22)23)24-10-12-3-5-18-6-4-12;12-9-5-10(11(14-6-9)15(16)17)18-7-8-1-3-13-4-2-8;1-5(2)6-7-3-4-8-6;3*1-3-4-2;;;/h3-9,11H,10H2,1-2H3;1-6H,7H2;3,5H,1-2H3;3*1,3-4H2,2H3;2*1H4;.

What are the key properties of 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane?

5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane has a molecular weight of 1114.86 g/mol, XLogP of 14.53, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-nitro-3-(pyridin-4-ylmethoxy)pyridine;methane;5-[6-nitro-5-(pyridin-4-ylmethoxy)-3-pyridinyl]-2-propan-2-yl-1,3-thiazole;tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 157382868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).