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

C16H24ClFN2Si — CID 53438251

IUPAC(4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(F)cnc21
InChIInChI=1S/C16H24ClFN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(17)14(18)9-19-16(13)20/h7-12H,1-6H3
InChIKeyFMYVOYPAUVIMAU-UHFFFAOYSA-N
MW326.92 g/mol
LogP5.85
Rot. Bonds4

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

(4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 53438251) has the molecular formula C16H24ClFN2Si and a molecular weight of 326.92 g/mol. Its IUPAC name is (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID53438251
Molecular FormulaC16H24ClFN2Si
Molecular Weight326.92 g/mol
Exact Mass326.14
IUPAC Name(4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(F)cnc21
InChIInChI=1S/C16H24ClFN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(17)14(18)9-19-16(13)20/h7-12H,1-6H3
InChIKeyFMYVOYPAUVIMAU-UHFFFAOYSA-N
XLogP5.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.92
LogP ≤ 55.85
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 (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 53438251) is (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(F)cnc21.
What is the InChIKey of (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is FMYVOYPAUVIMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(17)14(18)9-19-16(13)20/h7-12H,1-6H3.
What are the key properties of (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 326.92 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 53438251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).