[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid

C6H8BFN2O2 — CID 117058575

IUPAC[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid
SMILESOB(O)c1ccnn1C1CC1F
InChIInChI=1S/C6H8BFN2O2/c8-4-3-5(4)10-6(7(11)12)1-2-9-10/h1-2,4-5,11-12H,3H2
InChIKeyYXRZYACKCCULKQ-UHFFFAOYSA-N
MW169.95 g/mol
LogP-1.15
Rot. Bonds2

About [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid

[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid (PubChem CID 117058575) has the molecular formula C6H8BFN2O2 and a molecular weight of 169.95 g/mol. Its IUPAC name is [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid
PubChem CID117058575
Molecular FormulaC6H8BFN2O2
Molecular Weight169.95 g/mol
Exact Mass170.07
IUPAC Name[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid
SMILESOB(O)c1ccnn1C1CC1F
InChIInChI=1S/C6H8BFN2O2/c8-4-3-5(4)10-6(7(11)12)1-2-9-10/h1-2,4-5,11-12H,3H2
InChIKeyYXRZYACKCCULKQ-UHFFFAOYSA-N
XLogP-1.15
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
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 [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?
The IUPAC name of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid (CID 117058575) is [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid.
What is the SMILES notation for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?
The canonical SMILES for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid is OB(O)c1ccnn1C1CC1F.
What is the InChIKey of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?
The InChIKey is YXRZYACKCCULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BFN2O2/c8-4-3-5(4)10-6(7(11)12)1-2-9-10/h1-2,4-5,11-12H,3H2.
What are the key properties of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?
[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid has a molecular weight of 169.95 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid is sourced from PubChem (CID 117058575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).