(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid

C8H9BFNO3 — CID 133057329

IUPAC(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(OC2CC2)cc1F
InChIInChI=1S/C8H9BFNO3/c10-7-3-8(14-5-1-2-5)11-4-6(7)9(12)13/h3-5,12-13H,1-2H2
InChIKeyQCIKLTRDCXTQDD-UHFFFAOYSA-N
MW196.97 g/mol
LogP-0.56
Rot. Bonds3

About (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid

(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid (PubChem CID 133057329) has the molecular formula C8H9BFNO3 and a molecular weight of 196.97 g/mol. Its IUPAC name is (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid
PubChem CID133057329
Molecular FormulaC8H9BFNO3
Molecular Weight196.97 g/mol
Exact Mass197.07
IUPAC Name(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(OC2CC2)cc1F
InChIInChI=1S/C8H9BFNO3/c10-7-3-8(14-5-1-2-5)11-4-6(7)9(12)13/h3-5,12-13H,1-2H2
InChIKeyQCIKLTRDCXTQDD-UHFFFAOYSA-N
XLogP-0.56
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 5-0.56
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 (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid (CID 133057329) is (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid is OB(O)c1cnc(OC2CC2)cc1F.
What is the InChIKey of (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid?
The InChIKey is QCIKLTRDCXTQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BFNO3/c10-7-3-8(14-5-1-2-5)11-4-6(7)9(12)13/h3-5,12-13H,1-2H2.
What are the key properties of (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid?
(6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid has a molecular weight of 196.97 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyloxy-4-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 133057329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).