(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid

C6H7BFNO3 — CID 142736729

IUPAC(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cnc(F)c(OB(O)O)c1
InChIInChI=1S/C6H7BFNO3/c1-4-2-5(12-7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChIKeyZRYSUPVIFJTFDO-UHFFFAOYSA-N
MW170.94 g/mol
LogP-0.12
Rot. Bonds2

About (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid

(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid (PubChem CID 142736729) has the molecular formula C6H7BFNO3 and a molecular weight of 170.94 g/mol. Its IUPAC name is (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
PubChem CID142736729
Molecular FormulaC6H7BFNO3
Molecular Weight170.94 g/mol
Exact Mass171.05
IUPAC Name(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cnc(F)c(OB(O)O)c1
InChIInChI=1S/C6H7BFNO3/c1-4-2-5(12-7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChIKeyZRYSUPVIFJTFDO-UHFFFAOYSA-N
XLogP-0.12
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.94
LogP ≤ 5-0.12
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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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid (CID 142736729) is (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid is Cc1cnc(F)c(OB(O)O)c1.
What is the InChIKey of (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid?
The InChIKey is ZRYSUPVIFJTFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO3/c1-4-2-5(12-7(10)11)6(8)9-3-4/h2-3,10-11H,1H3.
What are the key properties of (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid?
(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid has a molecular weight of 170.94 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142736729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).