[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

C32H34Br2N6O2Si — CID 158203801

About [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 158203801) has the molecular formula C32H34Br2N6O2Si and a molecular weight of 722.56 g/mol. Its IUPAC name is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 158203801
• Molecular Formula: C32H34Br2N6O2Si
• Molecular Weight: 722.56 g/mol
• Exact Mass: 720.09
• IUPAC Name: [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.OCc1cccc(-n2ncc3ccc(Br)cc32)n1
• InChI: InChI=1S/C19H24BrN3OSi.C13H10BrN3O/c1-19(2,3)25(4,5)24-13-16-7-6-8-18(22-16)23-17-11-15(20)10-9-14(17)12-21-23;14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13/h6-12H,13H2,1-5H3;1-7,18H,8H2
• InChIKey: GBGFISQCEBXSTK-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 90.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.56
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 158203801) is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)n1.OCc1cccc(-n2ncc3ccc(Br)cc32)n1.

What is the InChIKey of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is GBGFISQCEBXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3OSi.C13H10BrN3O/c1-19(2,3)25(4,5)24-13-16-7-6-8-18(22-16)23-17-11-15(20)10-9-14(17)12-21-23;14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13/h6-12H,13H2,1-5H3;1-7,18H,8H2.

What are the key properties of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 722.56 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 158203801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).