[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C40H60ClN5Si2 — CID 123681004

About [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 123681004) has the molecular formula C40H60ClN5Si2 and a molecular weight of 702.58 g/mol. Its IUPAC name is [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• PubChem CID: 123681004
• Molecular Formula: C40H60ClN5Si2
• Molecular Weight: 702.58 g/mol
• Exact Mass: 701.41
• IUPAC Name: [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(CCl)c2cccnc21.Cc1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1
• InChI: InChI=1S/C23H33N3Si.C17H27ClN2Si/c1-16(2)27(17(3)4,18(5)6)26-15-21(22-9-8-12-24-23(22)26)13-20-11-10-19(7)25-14-20;1-12(2)21(13(3)4,14(5)6)20-11-15(10-18)16-8-7-9-19-17(16)20/h8-12,14-18H,13H2,1-7H3;7-9,11-14H,10H2,1-6H3
• InChIKey: RBHSBAZUKFUUGN-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.58
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The IUPAC name of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 123681004) is [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The canonical SMILES for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(CCl)c2cccnc21.Cc1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1.

What is the InChIKey of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The InChIKey is RBHSBAZUKFUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3Si.C17H27ClN2Si/c1-16(2)27(17(3)4,18(5)6)26-15-21(22-9-8-12-24-23(22)26)13-20-11-10-19(7)25-14-20;1-12(2)21(13(3)4,14(5)6)20-11-15(10-18)16-8-7-9-19-17(16)20/h8-12,14-18H,13H2,1-7H3;7-9,11-14H,10H2,1-6H3.

What are the key properties of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 702.58 g/mol, XLogP of 12.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 123681004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).