2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C112H98Cl2F11N5O16 — CID 161391342

About 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 161391342) has the molecular formula C112H98Cl2F11N5O16 and a molecular weight of 2049.92 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• PubChem CID: 161391342
• Molecular Formula: C112H98Cl2F11N5O16
• Molecular Weight: 2049.92 g/mol
• Exact Mass: 2047.62
• IUPAC Name: 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• SMILES: COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3F)CCCO2)cc1.O=C(CCCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.O=c1[nH]ccc(C2(c3ccc(F)cc3)CCCO2)c1F
• InChI: InChI=1S/3C24H21F2NO4.C15H12ClF2NO.C15H13F2NO2.C10H10ClFO/c1-30-23(29)17-5-3-16(4-6-17)15-27-13-11-20(21(26)22(27)28)24(12-2-14-31-24)18-7-9-19(25)10-8-18;2*25-19-8-6-18(7-9-19)24(11-1-13-31-24)20-10-12-27(23(30)22(20)26)14-16-2-4-17(5-3-16)21(29)15-28;16-14-13(18)12(6-8-19-14)15(7-1-9-20-15)10-2-4-11(17)5-3-10;16-11-4-2-10(3-5-11)15(7-1-9-20-15)12-6-8-18-14(19)13(12)17;11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-11,13H,2,12,14-15H2,1H3;2*2-10,12,28H,1,11,13-15H2;2-6,8H,1,7,9H2;2-6,8H,1,7,9H2,(H,18,19);3-6H,1-2,7H2
• InChIKey: VTAIOALGCBCVLI-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-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The IUPAC name of 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 161391342) is 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

What is the SMILES notation for 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The canonical SMILES for 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3F)CCCO2)cc1.O=C(CCCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)c(F)c2=O)cc1.O=c1[nH]ccc(C2(c3ccc(F)cc3)CCCO2)c1F.

What is the InChIKey of 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

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

What are the key properties of 2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

2-chloro-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-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-3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;4-chloro-1-(4-fluorophenyl)butan-1-one;bis(3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[3-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 161391342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).