2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid

C34H44BCl3N8O4Si2 — CID 159066240

About 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid

2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid (PubChem CID 159066240) has the molecular formula C34H44BCl3N8O4Si2 and a molecular weight of 802.12 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid
• PubChem CID: 159066240
• Molecular Formula: C34H44BCl3N8O4Si2
• Molecular Weight: 802.12 g/mol
• Exact Mass: 800.22
• IUPAC Name: 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid
• SMILES: C[Si](C)(C)CCOCn1ccc2c(-c3cccnc3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.OB(O)c1cccnc1
• InChI: InChI=1S/C17H21ClN4OSi.C12H17Cl2N3OSi.C5H6BNO2/c1-24(2,3)10-9-23-12-22-8-6-14-15(13-5-4-7-19-11-13)20-17(18)21-16(14)22;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;8-6(9)5-2-1-3-7-4-5/h4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,8-9H
• InChIKey: JZBXBTIEYCNOGS-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 146.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.12
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The IUPAC name of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid (CID 159066240) is 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The canonical SMILES for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid is C[Si](C)(C)CCOCn1ccc2c(-c3cccnc3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.OB(O)c1cccnc1.

What is the InChIKey of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The InChIKey is JZBXBTIEYCNOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OSi.C12H17Cl2N3OSi.C5H6BNO2/c1-24(2,3)10-9-23-12-22-8-6-14-15(13-5-4-7-19-11-13)20-17(18)21-16(14)22;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;8-6(9)5-2-1-3-7-4-5/h4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,8-9H.

What are the key properties of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid has a molecular weight of 802.12 g/mol, XLogP of 7.27, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid is sourced from PubChem (CID 159066240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).