[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C22H36BClN2O2Si — CID 45361777

IUPAC[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(Cl)cnc21
InChIInChI=1S/C22H36BClN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChIKeySDKUECRBPCPNKK-UHFFFAOYSA-N
MW434.89 g/mol
LogP6.01
Rot. Bonds5

About [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 45361777) has the molecular formula C22H36BClN2O2Si and a molecular weight of 434.89 g/mol. Its IUPAC name is [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID45361777
Molecular FormulaC22H36BClN2O2Si
Molecular Weight434.89 g/mol
Exact Mass434.23
IUPAC Name[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(Cl)cnc21
InChIInChI=1S/C22H36BClN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChIKeySDKUECRBPCPNKK-UHFFFAOYSA-N
XLogP6.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.89
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 45361777) is [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(Cl)cnc21.
What is the InChIKey of [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is SDKUECRBPCPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36BClN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3.
What are the key properties of [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 434.89 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 45361777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).