(6-fluoro-2-pyridinyl)oxidanium

C5H5FNO+ — CID 145432646

IUPAC(6-fluoro-2-pyridinyl)oxidanium
SMILES[OH2+]c1cccc(F)n1
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)/p+1
InChIKeyAJRUXHIEYSYRQJ-UHFFFAOYSA-O
MW114.10 g/mol
LogP0.66
Rot. Bonds

About (6-fluoro-2-pyridinyl)oxidanium

(6-fluoro-2-pyridinyl)oxidanium (PubChem CID 145432646) has the molecular formula C5H5FNO+ and a molecular weight of 114.10 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)oxidanium.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)oxidanium
PubChem CID145432646
Molecular FormulaC5H5FNO+
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(6-fluoro-2-pyridinyl)oxidanium
SMILES[OH2+]c1cccc(F)n1
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)/p+1
InChIKeyAJRUXHIEYSYRQJ-UHFFFAOYSA-O
XLogP0.66
TPSA35.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)oxidanium?
The IUPAC name of (6-fluoro-2-pyridinyl)oxidanium (CID 145432646) is (6-fluoro-2-pyridinyl)oxidanium.
What is the SMILES notation for (6-fluoro-2-pyridinyl)oxidanium?
The canonical SMILES for (6-fluoro-2-pyridinyl)oxidanium is [OH2+]c1cccc(F)n1.
What is the InChIKey of (6-fluoro-2-pyridinyl)oxidanium?
The InChIKey is AJRUXHIEYSYRQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)/p+1.
What are the key properties of (6-fluoro-2-pyridinyl)oxidanium?
(6-fluoro-2-pyridinyl)oxidanium has a molecular weight of 114.10 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)oxidanium is sourced from PubChem (CID 145432646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).