[(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

C17H16FNO4 — CID 96979466

IUPAC[(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)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/t15-/m0/s1
InChIKeyHXJPFTXSARNOQB-HNNXBMFYSA-N
MW317.32 g/mol
LogP2.31
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

[(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 96979466) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
PubChem CID96979466
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)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/t15-/m0/s1
InChIKeyHXJPFTXSARNOQB-HNNXBMFYSA-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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Related Compounds

4-(2-(cyclopentyloxy)ethoxy)-1-(4-fluorophenyl)pyridin-2(1H)-one
CID 122456032
Methyl 1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 26986032
Methyl 1-(2,3-difluorophenyl)-6-oxopyridine-3-carboxylate
CID 67056851
Methyl 1-(3-fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 68083398
3-O-methyl 5-O-(oxolan-2-ylmethyl) 1-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 139898364
Ethyl 5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
CID 156057967
Methyl 5-(1-ethoxyethenyl)-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate
CID 156197086
Methyl 1-(2-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 163348793
Methyl 1-(3,4-difluorophenyl)-6-oxopyridine-3-carboxylate
CID 166563661
5-(4-Fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 168146416
Oxolan-2-ylmethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 71974889
2,2-Difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 71974890

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 96979466) is [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is O=C(OC[C@@H]1CCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is HXJPFTXSARNOQB-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
[(2S)-oxolan-2-yl]methyl 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 [(2S)-oxolan-2-yl]methyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 96979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).