4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid

C15H18BFN2O3 — CID 68648386

IUPAC4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid
SMILESFc1cccc(N2CCOCC2)n1.OB(O)c1ccccc1
InChIInChI=1S/C9H11FN2O.C6H7BO2/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12;8-7(9)6-4-2-1-3-5-6/h1-3H,4-7H2;1-5,8-9H
InChIKeyVJQWAZUENSFXAN-UHFFFAOYSA-N
MW304.13 g/mol
LogP0.42
Rot. Bonds2

About 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid

4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid (PubChem CID 68648386) has the molecular formula C15H18BFN2O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid.

Molecular Properties

Compound Name4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid
PubChem CID68648386
Molecular FormulaC15H18BFN2O3
Molecular Weight304.13 g/mol
Exact Mass304.14
IUPAC Name4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid
SMILESFc1cccc(N2CCOCC2)n1.OB(O)c1ccccc1
InChIInChI=1S/C9H11FN2O.C6H7BO2/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12;8-7(9)6-4-2-1-3-5-6/h1-3H,4-7H2;1-5,8-9H
InChIKeyVJQWAZUENSFXAN-UHFFFAOYSA-N
XLogP0.42
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid?
The IUPAC name of 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid (CID 68648386) is 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid.
What is the SMILES notation for 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid?
The canonical SMILES for 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid is Fc1cccc(N2CCOCC2)n1.OB(O)c1ccccc1.
What is the InChIKey of 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid?
The InChIKey is VJQWAZUENSFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O.C6H7BO2/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12;8-7(9)6-4-2-1-3-5-6/h1-3H,4-7H2;1-5,8-9H.
What are the key properties of 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid?
4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid has a molecular weight of 304.13 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-pyridinyl)morpholine;phenylboronic acid is sourced from PubChem (CID 68648386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).