5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol

C60H74Br5F6N5O15 — CID 158642172

About 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol

5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol (PubChem CID 158642172) has the molecular formula C60H74Br5F6N5O15 and a molecular weight of 1618.78 g/mol. Its IUPAC name is 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

• Compound Name: 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
• PubChem CID: 158642172
• Molecular Formula: C60H74Br5F6N5O15
• Molecular Weight: 1618.78 g/mol
• Exact Mass: 1613.10
• IUPAC Name: 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
• SMILES: COc1ncc(Br)cc1C(CO)(CO)C(F)F.COc1ncc(Br)cc1C1(C(F)F)CCC1.COc1ncc(Br)cc1C1(C(F)F)COC(C)(C)OC1.COc1ncc(Br)cc1C1(C=O)COC(C)(C)OC1.COc1ncc(Br)cc1C1(CO)COC(C)(C)OC1
• InChI: InChI=1S/C13H16BrF2NO3.C13H18BrNO4.C13H16BrNO4.C11H12BrF2NO.C10H12BrF2NO3/c1-12(2)19-6-13(7-20-12,11(15)16)9-4-8(14)5-17-10(9)18-3;2*1-12(2)18-7-13(6-16,8-19-12)10-4-9(14)5-15-11(10)17-3;1-16-9-8(5-7(12)6-15-9)11(10(13)14)3-2-4-11;1-17-8-7(2-6(11)3-14-8)10(4-15,5-16)9(12)13/h4-5,11H,6-7H2,1-3H3;4-5,16H,6-8H2,1-3H3;4-6H,7-8H2,1-3H3;5-6,10H,2-4H2,1H3;2-3,9,15-16H,4-5H2,1H3
• InChIKey: IANHYBLZBBDBSG-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 243.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.78
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?

The IUPAC name of 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol (CID 158642172) is 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol.

What is the SMILES notation for 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?

The canonical SMILES for 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol is COc1ncc(Br)cc1C(CO)(CO)C(F)F.COc1ncc(Br)cc1C1(C(F)F)CCC1.COc1ncc(Br)cc1C1(C(F)F)COC(C)(C)OC1.COc1ncc(Br)cc1C1(C=O)COC(C)(C)OC1.COc1ncc(Br)cc1C1(CO)COC(C)(C)OC1.

What is the InChIKey of 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?

The InChIKey is IANHYBLZBBDBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO3.C13H18BrNO4.C13H16BrNO4.C11H12BrF2NO.C10H12BrF2NO3/c1-12(2)19-6-13(7-20-12,11(15)16)9-4-8(14)5-17-10(9)18-3;2*1-12(2)18-7-13(6-16,8-19-12)10-4-9(14)5-15-11(10)17-3;1-16-9-8(5-7(12)6-15-9)11(10(13)14)3-2-4-11;1-17-8-7(2-6(11)3-14-8)10(4-15,5-16)9(12)13/h4-5,11H,6-7H2,1-3H3;4-5,16H,6-8H2,1-3H3;4-6H,7-8H2,1-3H3;5-6,10H,2-4H2,1H3;2-3,9,15-16H,4-5H2,1H3.

What are the key properties of 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?

5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol has a molecular weight of 1618.78 g/mol, XLogP of 11.96, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 158642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).