oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

C17H16FNO4 — CID 71974889

IUPACoxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OCC1CCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO4/c18-13-4-6-14(7-5-13)19-10-12(3-8-16(19)20)17(21)23-11-15-2-1-9-22-15/h3-8,10,15H,1-2,9,11H2
InChIKeyHXJPFTXSARNOQB-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.31
Rot. Bonds4

About oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 71974889) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
PubChem CID71974889
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameoxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OCC1CCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO4/c18-13-4-6-14(7-5-13)19-10-12(3-8-16(19)20)17(21)23-11-15-2-1-9-22-15/h3-8,10,15H,1-2,9,11H2
InChIKeyHXJPFTXSARNOQB-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 71974889) is oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is O=C(OCC1CCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is HXJPFTXSARNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-13-4-6-14(7-5-13)19-10-12(3-8-16(19)20)17(21)23-11-15-2-1-9-22-15/h3-8,10,15H,1-2,9,11H2.
What are the key properties of oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 317.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 71974889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).