[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C23H31BrN2Si — CID 58086537

IUPAC[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21
InChIInChI=1S/C23H31BrN2Si/c1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19/h7-13,15-18H,14H2,1-6H3
InChIKeyWGYNXHAESXJUSW-UHFFFAOYSA-N
MW443.51 g/mol
LogP7.41
Rot. Bonds6

About [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 58086537) has the molecular formula C23H31BrN2Si and a molecular weight of 443.51 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID58086537
Molecular FormulaC23H31BrN2Si
Molecular Weight443.51 g/mol
Exact Mass442.14
IUPAC Name[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21
InChIInChI=1S/C23H31BrN2Si/c1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19/h7-13,15-18H,14H2,1-6H3
InChIKeyWGYNXHAESXJUSW-UHFFFAOYSA-N
XLogP7.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 58086537) is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.
What is the InChIKey of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is WGYNXHAESXJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BrN2Si/c1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19/h7-13,15-18H,14H2,1-6H3.
What are the key properties of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 443.51 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 58086537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).