6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol

C69H87BBr3Cl3F18N14O10 — CID 159517148

About 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol

6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol (PubChem CID 159517148) has the molecular formula C69H87BBr3Cl3F18N14O10 and a molecular weight of 1971.39 g/mol. Its IUPAC name is 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol
• PubChem CID: 159517148
• Molecular Formula: C69H87BBr3Cl3F18N14O10
• Molecular Weight: 1971.39 g/mol
• Exact Mass: 1966.32
• IUPAC Name: 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol
• SMILES: C.C.C.C.C.CC(C)CO.CC(C)COC(F)(F)c1nnc2ccc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.CC(C)COC(F)(F)c1nnc2ccc(Br)cn12.C[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.FC(F)(Cl)c1nnc2ccc(Br)cn12.NNc1ccc(Br)cn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl
• InChI: InChI=1S/C19H18F6N4O2.C14H18BF4NO3.C11H12BrF2N3O.C7H3BrClF2N3.C5H6BrN3.C4Cl2F4O3.C4H10O.5CH4/c1-10(2)9-30-19(24,25)17-28-27-15-5-4-12(8-29(15)17)13-6-14(20)16(26-7-13)31-11(3)18(21,22)23;1-8(14(17,18)19)21-11-10(16)6-9(7-20-11)15-22-12(2,3)13(4,5)23-15;1-7(2)6-18-11(13,14)10-16-15-9-4-3-8(12)5-17(9)10;8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4;6-4-1-2-5(9-7)8-3-4;5-3(7,8)1(11)13-2(12)4(6,9)10;1-4(2)3-5;;;;;/h4-8,10-11H,9H2,1-3H3;6-8H,1-5H3;3-5,7H,6H2,1-2H3;1-3H;1-3H,7H2,(H,8,9);;4-5H,3H2,1-2H3;5*1H4/t11-;8-;;;;;;;;;;/m00........../s1
• InChIKey: MBIPANMJLZMRMG-PGHSQASHSA-N
• XLogP: 20.49
• TPSA: 286.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.39
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol?

The IUPAC name of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol (CID 159517148) is 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol.

What is the SMILES notation for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol?

The canonical SMILES for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol is C.C.C.C.C.CC(C)CO.CC(C)COC(F)(F)c1nnc2ccc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.CC(C)COC(F)(F)c1nnc2ccc(Br)cn12.C[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.FC(F)(Cl)c1nnc2ccc(Br)cn12.NNc1ccc(Br)cn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.

What is the InChIKey of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol?

The InChIKey is MBIPANMJLZMRMG-PGHSQASHSA-N. The full InChI is InChI=1S/C19H18F6N4O2.C14H18BF4NO3.C11H12BrF2N3O.C7H3BrClF2N3.C5H6BrN3.C4Cl2F4O3.C4H10O.5CH4/c1-10(2)9-30-19(24,25)17-28-27-15-5-4-12(8-29(15)17)13-6-14(20)16(26-7-13)31-11(3)18(21,22)23;1-8(14(17,18)19)21-11-10(16)6-9(7-20-11)15-22-12(2,3)13(4,5)23-15;1-7(2)6-18-11(13,14)10-16-15-9-4-3-8(12)5-17(9)10;8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4;6-4-1-2-5(9-7)8-3-4;5-3(7,8)1(11)13-2(12)4(6,9)10;1-4(2)3-5;;;;;/h4-8,10-11H,9H2,1-3H3;6-8H,1-5H3;3-5,7H,6H2,1-2H3;1-3H;1-3H,7H2,(H,8,9);;4-5H,3H2,1-2H3;5*1H4/t11-;8-;;;;;;;;;;/m00........../s1.

What are the key properties of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol?

6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol has a molecular weight of 1971.39 g/mol, XLogP of 20.49, 19 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;methane;2-methylpropan-1-ol is sourced from PubChem (CID 159517148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).