[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid

C16H26BFN2O2Si — CID 138107987

IUPAC[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)c(F)ncc21
InChIInChI=1S/C16H26BFN2O2Si/c1-10(2)23(11(3)4,12(5)6)20-8-7-13-14(20)9-19-16(18)15(13)17(21)22/h7-12,21-22H,1-6H3
InChIKeyPVUJCANRUVVUHU-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.88
Rot. Bonds5

About [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid

[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid (PubChem CID 138107987) has the molecular formula C16H26BFN2O2Si and a molecular weight of 336.29 g/mol. Its IUPAC name is [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid
PubChem CID138107987
Molecular FormulaC16H26BFN2O2Si
Molecular Weight336.29 g/mol
Exact Mass336.18
IUPAC Name[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)c(F)ncc21
InChIInChI=1S/C16H26BFN2O2Si/c1-10(2)23(11(3)4,12(5)6)20-8-7-13-14(20)9-19-16(18)15(13)17(21)22/h7-12,21-22H,1-6H3
InChIKeyPVUJCANRUVVUHU-UHFFFAOYSA-N
XLogP2.88
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1H-pyrrolo[2,3-c]pyridine
CID 23298373
[1-(tert-butyldimethylsilyl)-1H-indol-5-yl]boronic acid
CID 4372773
1-(tert-Butyldimethylsilyl)indole-6-boronic acid
CID 4372774
1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
CID 22352397
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-c)pyridine
CID 72220989
Boronic acid, [1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-3-yl]-
CID 10989478
1,6-Dimethylpyrrolo[2,3-c]pyridin-6-ium
CID 125480296
(1-(tert-Butyldimethylsilyl)-5-fluoro-1H-indol-4-yl)boronic acid
CID 57417002
N-(1-allyl-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-ylmethylene)-4-fluorophenylamine
CID 67141427
CID 69059067
CID 69059067
1-Cyclopropyl-3-fluoropyrrolo[2,3-c]pyridine
CID 130220742
3-Fluoro-1-hydroxypyrrolo[2,3-c]pyridine
CID 137437186

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid?
The IUPAC name of [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid (CID 138107987) is [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid.
What is the SMILES notation for [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid?
The canonical SMILES for [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)c(F)ncc21.
What is the InChIKey of [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid?
The InChIKey is PVUJCANRUVVUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BFN2O2Si/c1-10(2)23(11(3)4,12(5)6)20-8-7-13-14(20)9-19-16(18)15(13)17(21)22/h7-12,21-22H,1-6H3.
What are the key properties of [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid?
[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid has a molecular weight of 336.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid is sourced from PubChem (CID 138107987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).