6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride

C51H67BBr2ClF8N11O8 — CID 158640970

About 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride

6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride (PubChem CID 158640970) has the molecular formula C51H67BBr2ClF8N11O8 and a molecular weight of 1320.22 g/mol. Its IUPAC name is 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride.

Molecular Properties

• Compound Name: 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride
• PubChem CID: 158640970
• Molecular Formula: C51H67BBr2ClF8N11O8
• Molecular Weight: 1320.22 g/mol
• Exact Mass: 1317.32
• IUPAC Name: 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride
• SMILES: C.C.C.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COCC(=O)Cl.COCc1nnc2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COCc1nnc2ccc(Br)cn12.NNc1ccc(Br)cn1
• InChI: InChI=1S/C17H16F4N4O2.C15H20BF4NO3.C8H8BrN3O.C5H6BrN3.C3H5ClO2.3CH4/c1-16(2,17(19,20)21)27-15-12(18)6-11(7-22-15)10-4-5-13-23-24-14(9-26-3)25(13)8-10;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-13-5-8-11-10-7-3-2-6(9)4-12(7)8;6-4-1-2-5(9-7)8-3-4;1-6-2-3(4)5;;;/h4-8H,9H2,1-3H3;7-8H,1-6H3;2-4H,5H2,1H3;1-3H,7H2,(H,8,9);2H2,1H3;3*1H4
• InChIKey: IAJLOGFFHGHYEC-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 218.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.22
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', '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-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride?

The IUPAC name of 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride (CID 158640970) is 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride.

What is the SMILES notation for 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride?

The canonical SMILES for 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride is C.C.C.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COCC(=O)Cl.COCc1nnc2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COCc1nnc2ccc(Br)cn12.NNc1ccc(Br)cn1.

What is the InChIKey of 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride?

The InChIKey is IAJLOGFFHGHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2.C15H20BF4NO3.C8H8BrN3O.C5H6BrN3.C3H5ClO2.3CH4/c1-16(2,17(19,20)21)27-15-12(18)6-11(7-22-15)10-4-5-13-23-24-14(9-26-3)25(13)8-10;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-13-5-8-11-10-7-3-2-6(9)4-12(7)8;6-4-1-2-5(9-7)8-3-4;1-6-2-3(4)5;;;/h4-8H,9H2,1-3H3;7-8H,1-6H3;2-4H,5H2,1H3;1-3H,7H2,(H,8,9);2H2,1H3;3*1H4.

What are the key properties of 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride?

6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride has a molecular weight of 1320.22 g/mol, XLogP of 12.11, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;(5-bromo-2-pyridinyl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane;2-methoxyacetyl chloride is sourced from PubChem (CID 158640970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).