[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid

C8H11BFN3O2 — CID 75201245

IUPAC[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(N2CCC(F)C2)nc1
InChIInChI=1S/C8H11BFN3O2/c10-7-1-2-13(5-7)8-11-3-6(4-12-8)9(14)15/h3-4,7,14-15H,1-2,5H2
InChIKeyBZWKULXLGNCDRC-UHFFFAOYSA-N
MW211.00 g/mol
LogP-1.30
Rot. Bonds2

About [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid

[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid (PubChem CID 75201245) has the molecular formula C8H11BFN3O2 and a molecular weight of 211.00 g/mol. Its IUPAC name is [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid.

Molecular Properties

Compound Name[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
PubChem CID75201245
Molecular FormulaC8H11BFN3O2
Molecular Weight211.00 g/mol
Exact Mass211.09
IUPAC Name[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(N2CCC(F)C2)nc1
InChIInChI=1S/C8H11BFN3O2/c10-7-1-2-13(5-7)8-11-3-6(4-12-8)9(14)15/h3-4,7,14-15H,1-2,5H2
InChIKeyBZWKULXLGNCDRC-UHFFFAOYSA-N
XLogP-1.30
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid?
The IUPAC name of [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid (CID 75201245) is [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid.
What is the SMILES notation for [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid?
The canonical SMILES for [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid is OB(O)c1cnc(N2CCC(F)C2)nc1.
What is the InChIKey of [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid?
The InChIKey is BZWKULXLGNCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BFN3O2/c10-7-1-2-13(5-7)8-11-3-6(4-12-8)9(14)15/h3-4,7,14-15H,1-2,5H2.
What are the key properties of [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid?
[2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid has a molecular weight of 211.00 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoropyrrolidin-1-yl)pyrimidin-5-yl]boronic acid is sourced from PubChem (CID 75201245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).