2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)

C79H107BBrF3N12O3OsP2+2 — CID 158112464

About 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)

2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) (PubChem CID 158112464) has the molecular formula C79H107BBrF3N12O3OsP2+2 and a molecular weight of 1672.69 g/mol. Its IUPAC name is 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+).

Molecular Properties

• Compound Name: 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)
• PubChem CID: 158112464
• Molecular Formula: C79H107BBrF3N12O3OsP2+2
• Molecular Weight: 1672.69 g/mol
• Exact Mass: 1672.69
• IUPAC Name: 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)
• SMILES: CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(Br)c1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2cc(C(C)(C)C)ccn2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)ccn2)n[nH]1.Cc1cc(B2OC(C)(C)C(C)(C)O2)n(C2CCCCO2)n1.[Os+2]
• InChI: InChI=1S/C15H25BN2O3.C13H13F3N3.C13H17N3.C13H16N3.C9H12BrN.2C8H11P.Os/c1-11-10-12(16-20-14(2,3)15(4,5)21-16)18(17-11)13-8-6-7-9-19-13;1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;2*1-9-7-12(16-15-9)11-8-10(5-6-14-11)13(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;2*1-9(2)8-6-4-3-5-7-8;/h10,13H,6-9H2,1-5H3;4-7H,1-3H3;5-8H,1-4H3,(H,15,16);5-8H,1-4H3;4-6H,1-3H3;2*3-7H,1-2H3;/q;-1;;-1;;;;+2/p+2
• InChIKey: FDTSANOLDQLFMB-UHFFFAOYSA-P
• XLogP: 18.10
• TPSA: 179.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1672.69
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The IUPAC name of 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) (CID 158112464) is 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+).

What is the SMILES notation for 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The canonical SMILES for 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) is CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(Br)c1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2cc(C(C)(C)C)ccn2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)ccn2)n[nH]1.Cc1cc(B2OC(C)(C)C(C)(C)O2)n(C2CCCCO2)n1.[Os+2].

What is the InChIKey of 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The InChIKey is FDTSANOLDQLFMB-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H25BN2O3.C13H13F3N3.C13H17N3.C13H16N3.C9H12BrN.2C8H11P.Os/c1-11-10-12(16-20-14(2,3)15(4,5)21-16)18(17-11)13-8-6-7-9-19-13;1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;2*1-9-7-12(16-15-9)11-8-10(5-6-14-11)13(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;2*1-9(2)8-6-4-3-5-7-8;/h10,13H,6-9H2,1-5H3;4-7H,1-3H3;5-8H,1-4H3,(H,15,16);5-8H,1-4H3;4-6H,1-3H3;2*3-7H,1-2H3;/q;-1;;-1;;;;+2/p+2.

What are the key properties of 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) has a molecular weight of 1672.69 g/mol, XLogP of 18.10, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-tert-butylpyridine;4-tert-butyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-tert-butyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine;4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) is sourced from PubChem (CID 158112464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).