(5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride

C49H65BBrCl2F8N13O8 — CID 165004178

About (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride

(5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride (PubChem CID 165004178) has the molecular formula C49H65BBrCl2F8N13O8 and a molecular weight of 1277.75 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride.

Molecular Properties

• Compound Name: (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride
• PubChem CID: 165004178
• Molecular Formula: C49H65BBrCl2F8N13O8
• Molecular Weight: 1277.75 g/mol
• Exact Mass: 1275.36
• IUPAC Name: (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;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)nn12.COCc1nnc2ccc(Cl)nn12.NNc1ccc(Br)cn1
• InChI: InChI=1S/C16H15F4N5O2.C15H20BF4NO3.C7H7ClN4O.C5H6BrN3.C3H5ClO2.3CH4/c1-15(2,16(18,19)20)27-14-10(17)6-9(7-21-14)11-4-5-12-22-23-13(8-26-3)25(12)24-11;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;1-13-4-7-10-9-6-3-2-5(8)11-12(6)7;6-4-1-2-5(9-7)8-3-4;1-6-2-3(4)5;;;/h4-7H,8H2,1-3H3;7-8H,1-6H3;2-3H,4H2,1H3;1-3H,7H2,(H,8,9);2H2,1H3;3*1H4
• InChIKey: ISBNCYIENJHGSZ-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 244.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.75
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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 (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride?

The IUPAC name of (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride (CID 165004178) is (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride.

What is the SMILES notation for (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride?

The canonical SMILES for (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;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)nn12.COCc1nnc2ccc(Cl)nn12.NNc1ccc(Br)cn1.

What is the InChIKey of (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride?

The InChIKey is ISBNCYIENJHGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O2.C15H20BF4NO3.C7H7ClN4O.C5H6BrN3.C3H5ClO2.3CH4/c1-15(2,16(18,19)20)27-14-10(17)6-9(7-21-14)11-4-5-12-22-23-13(8-26-3)25(12)24-11;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;1-13-4-7-10-9-6-3-2-5(8)11-12(6)7;6-4-1-2-5(9-7)8-3-4;1-6-2-3(4)5;;;/h4-7H,8H2,1-3H3;7-8H,1-6H3;2-3H,4H2,1H3;1-3H,7H2,(H,8,9);2H2,1H3;3*1H4.

What are the key properties of (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride?

(5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride has a molecular weight of 1277.75 g/mol, XLogP of 10.79, 13 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-2-pyridinyl)hydrazine;6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;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-b]pyridazine;methane;2-methoxyacetyl chloride is sourced from PubChem (CID 165004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).