2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C112H98Cl2F11N5O16 — CID 158682818

About 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 158682818) has the molecular formula C112H98Cl2F11N5O16 and a molecular weight of 2049.92 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• PubChem CID: 158682818
• Molecular Formula: C112H98Cl2F11N5O16
• Molecular Weight: 2049.92 g/mol
• Exact Mass: 2047.62
• IUPAC Name: 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• SMILES: COC(=O)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.Fc1ccc(C2(c3cc(Cl)ncc3F)CCCO2)cc1.O=C(CCCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)c(F)c[nH]1
• InChI: InChI=1S/3C24H21F2NO4.C15H12ClF2NO.C15H13F2NO2.C10H10ClFO/c1-30-23(29)17-5-3-16(4-6-17)14-27-15-21(26)20(13-22(27)28)24(11-2-12-31-24)18-7-9-19(25)10-8-18;2*25-19-8-6-18(7-9-19)24(10-1-11-31-24)20-12-23(30)27(14-21(20)26)13-16-2-4-17(5-3-16)22(29)15-28;16-14-8-12(13(18)9-19-14)15(6-1-7-20-15)10-2-4-11(17)5-3-10;16-11-4-2-10(3-5-11)15(6-1-7-20-15)12-8-14(19)18-9-13(12)17;11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-10,13,15H,2,11-12,14H2,1H3;2*2-9,12,14,28H,1,10-11,13,15H2;2-5,8-9H,1,6-7H2;2-5,8-9H,1,6-7H2,(H,18,19);3-6H,1-2,7H2
• InChIKey: IFIVSIANPKFUAQ-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 275.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.92
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The IUPAC name of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 158682818) is 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

What is the SMILES notation for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The canonical SMILES for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.Fc1ccc(C2(c3cc(Cl)ncc3F)CCCO2)cc1.O=C(CCCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)c(F)c[nH]1.

What is the InChIKey of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The InChIKey is IFIVSIANPKFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H21F2NO4.C15H12ClF2NO.C15H13F2NO2.C10H10ClFO/c1-30-23(29)17-5-3-16(4-6-17)14-27-15-21(26)20(13-22(27)28)24(11-2-12-31-24)18-7-9-19(25)10-8-18;2*25-19-8-6-18(7-9-19)24(10-1-11-31-24)20-12-23(30)27(14-21(20)26)13-16-2-4-17(5-3-16)22(29)15-28;16-14-8-12(13(18)9-19-14)15(6-1-7-20-15)10-2-4-11(17)5-3-10;16-11-4-2-10(3-5-11)15(6-1-7-20-15)12-8-14(19)18-9-13(12)17;11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-10,13,15H,2,11-12,14H2,1H3;2*2-9,12,14,28H,1,10-11,13,15H2;2-5,8-9H,1,6-7H2;2-5,8-9H,1,6-7H2,(H,18,19);3-6H,1-2,7H2.

What are the key properties of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 2049.92 g/mol, XLogP of 20.62, 25 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 158682818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).