oxan-4-yl 6-fluoropyridine-2-carboxylate

C11H12FNO3 — CID 115498876

IUPACoxan-4-yl 6-fluoropyridine-2-carboxylate
SMILESO=C(OC1CCOCC1)c1cccc(F)n1
InChIInChI=1S/C11H12FNO3/c12-10-3-1-2-9(13-10)11(14)16-8-4-6-15-7-5-8/h1-3,8H,4-7H2
InChIKeyGOOMKYUKGMBDED-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.56
Rot. Bonds2

About oxan-4-yl 6-fluoropyridine-2-carboxylate

oxan-4-yl 6-fluoropyridine-2-carboxylate (PubChem CID 115498876) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is oxan-4-yl 6-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 6-fluoropyridine-2-carboxylate
PubChem CID115498876
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Nameoxan-4-yl 6-fluoropyridine-2-carboxylate
SMILESO=C(OC1CCOCC1)c1cccc(F)n1
InChIInChI=1S/C11H12FNO3/c12-10-3-1-2-9(13-10)11(14)16-8-4-6-15-7-5-8/h1-3,8H,4-7H2
InChIKeyGOOMKYUKGMBDED-UHFFFAOYSA-N
XLogP1.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 6-fluoropyridine-2-carboxylate?
The IUPAC name of oxan-4-yl 6-fluoropyridine-2-carboxylate (CID 115498876) is oxan-4-yl 6-fluoropyridine-2-carboxylate.
What is the SMILES notation for oxan-4-yl 6-fluoropyridine-2-carboxylate?
The canonical SMILES for oxan-4-yl 6-fluoropyridine-2-carboxylate is O=C(OC1CCOCC1)c1cccc(F)n1.
What is the InChIKey of oxan-4-yl 6-fluoropyridine-2-carboxylate?
The InChIKey is GOOMKYUKGMBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-10-3-1-2-9(13-10)11(14)16-8-4-6-15-7-5-8/h1-3,8H,4-7H2.
What are the key properties of oxan-4-yl 6-fluoropyridine-2-carboxylate?
oxan-4-yl 6-fluoropyridine-2-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 6-fluoropyridine-2-carboxylate is sourced from PubChem (CID 115498876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).