3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine

C137H120Br6F11N17O21S — CID 159730980

About 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine

3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine (PubChem CID 159730980) has the molecular formula C137H120Br6F11N17O21S and a molecular weight of 3061.03 g/mol. Its IUPAC name is 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine.

Molecular Properties

• Compound Name: 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine
• PubChem CID: 159730980
• Molecular Formula: C137H120Br6F11N17O21S
• Molecular Weight: 3061.03 g/mol
• Exact Mass: 3053.35
• IUPAC Name: 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine
• SMILES: Brc1cnc(Br)c(Br)c1.Brc1cnc(OCc2ccccc2)c(Br)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1c[nH]c(=O)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OCc2ccccc2)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OS(=O)(=O)C(F)(F)F)c(C2(O)COC2)c1.OC1(c2cc(Br)cnc2OCc2ccccc2)COC1
• InChI: InChI=1S/C30H27F2N3O4.C28H27F2N5O3.C24H20F5N3O6S.C23H21F2N3O4.C15H14BrNO3.C12H9Br2NO.C5H2Br3N/c1-19-8-9-23(35-27(36)21-10-11-33-26(13-21)29(2,31)32)14-24(19)22-12-25(30(37)17-38-18-30)28(34-15-22)39-16-20-6-4-3-5-7-20;1-16-5-6-20(33-26(36)18-7-8-31-24(10-18)27(3,29)30)11-21(16)19-9-23(28(37)14-38-15-28)25(32-12-19)22-13-35(4)34-17(22)2;1-13-3-4-16(32-20(33)14-5-6-30-19(8-14)22(2,25)26)9-17(13)15-7-18(23(34)11-37-12-23)21(31-10-15)38-39(35,36)24(27,28)29;1-13-3-4-16(28-20(29)14-5-6-26-19(8-14)22(2,24)25)9-17(13)15-7-18(21(30)27-10-15)23(31)11-32-12-23;16-12-6-13(15(18)9-19-10-15)14(17-7-12)20-8-11-4-2-1-3-5-11;13-10-6-11(14)12(15-7-10)16-8-9-4-2-1-3-5-9;6-3-1-4(7)5(8)9-2-3/h3-15,37H,16-18H2,1-2H3,(H,35,36);5-13,37H,14-15H2,1-4H3,(H,33,36);3-10,34H,11-12H2,1-2H3,(H,32,33);3-10,31H,11-12H2,1-2H3,(H,27,30)(H,28,29);1-7,18H,8-10H2;1-7H,8H2;1-2H
• InChIKey: NBFQYMWUAYWWPZ-UHFFFAOYSA-N
• XLogP: 28.14
• TPSA: 514.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3061.03
LogP ≤ 5	28.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine?

The IUPAC name of 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine (CID 159730980) is 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine.

What is the SMILES notation for 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine?

The canonical SMILES for 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine is Brc1cnc(Br)c(Br)c1.Brc1cnc(OCc2ccccc2)c(Br)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1c[nH]c(=O)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OCc2ccccc2)c(C2(O)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OS(=O)(=O)C(F)(F)F)c(C2(O)COC2)c1.OC1(c2cc(Br)cnc2OCc2ccccc2)COC1.

What is the InChIKey of 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine?

The InChIKey is NBFQYMWUAYWWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N3O4.C28H27F2N5O3.C24H20F5N3O6S.C23H21F2N3O4.C15H14BrNO3.C12H9Br2NO.C5H2Br3N/c1-19-8-9-23(35-27(36)21-10-11-33-26(13-21)29(2,31)32)14-24(19)22-12-25(30(37)17-38-18-30)28(34-15-22)39-16-20-6-4-3-5-7-20;1-16-5-6-20(33-26(36)18-7-8-31-24(10-18)27(3,29)30)11-21(16)19-9-23(28(37)14-38-15-28)25(32-12-19)22-13-35(4)34-17(22)2;1-13-3-4-16(32-20(33)14-5-6-30-19(8-14)22(2,25)26)9-17(13)15-7-18(23(34)11-37-12-23)21(31-10-15)38-39(35,36)24(27,28)29;1-13-3-4-16(28-20(29)14-5-6-26-19(8-14)22(2,24)25)9-17(13)15-7-18(21(30)27-10-15)23(31)11-32-12-23;16-12-6-13(15(18)9-19-10-15)14(17-7-12)20-8-11-4-2-1-3-5-11;13-10-6-11(14)12(15-7-10)16-8-9-4-2-1-3-5-9;6-3-1-4(7)5(8)9-2-3/h3-15,37H,16-18H2,1-2H3,(H,35,36);5-13,37H,14-15H2,1-4H3,(H,33,36);3-10,34H,11-12H2,1-2H3,(H,32,33);3-10,31H,11-12H2,1-2H3,(H,27,30)(H,28,29);1-7,18H,8-10H2;1-7H,8H2;1-2H.

What are the key properties of 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine?

3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine has a molecular weight of 3061.03 g/mol, XLogP of 28.14, 33 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-2-phenylmethoxy-3-pyridinyl)oxetan-3-ol;3,5-dibromo-2-phenylmethoxypyridine;2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-oxo-1H-pyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-phenylmethoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(3-hydroxyoxetan-3-yl)-2-pyridinyl] trifluoromethanesulfonate;2,3,5-tribromopyridine is sourced from PubChem (CID 159730980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).