2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C83H71Cl2F5N4O12 — CID 159949588

IUPAC2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCO2)cc1.O=C(CCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCO2)cc[nH]1
InChIInChI=1S/2C23H20FNO4.C14H11ClFNO.C14H12FNO2.C9H8ClFO/c1-28-22(27)17-4-2-16(3-5-17)15-25-12-10-19(14-21(25)26)23(11-13-29-23)18-6-8-20(24)9-7-18;24-20-7-5-18(6-8-20)23(10-12-29-23)19-9-11-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;15-13-9-11(5-7-17-13)14(6-8-18-14)10-1-3-12(16)4-2-10;15-12-3-1-10(2-4-12)14(6-8-18-14)11-5-7-16-13(17)9-11;10-6-5-9(12)7-1-3-8(11)4-2-7/h2-10,12,14H,11,13,15H2,1H3;1-9,11,13,26H,10,12,14-15H2;1-5,7,9H,6,8H2;1-5,7,9H,6,8H2,(H,16,17);1-4H,5-6H2
InChIKeyOBXXQUOZUXUMTB-UHFFFAOYSA-N
MW1482.39 g/mol
LogP14.71
Rot. Bonds18

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

2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 159949588) has the molecular formula C83H71Cl2F5N4O12 and a molecular weight of 1482.39 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

Compound Name2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
PubChem CID159949588
Molecular FormulaC83H71Cl2F5N4O12
Molecular Weight1482.39 g/mol
Exact Mass1480.44
IUPAC Name2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCO2)cc1.O=C(CCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCO2)cc[nH]1
InChIInChI=1S/2C23H20FNO4.C14H11ClFNO.C14H12FNO2.C9H8ClFO/c1-28-22(27)17-4-2-16(3-5-17)15-25-12-10-19(14-21(25)26)23(11-13-29-23)18-6-8-20(24)9-7-18;24-20-7-5-18(6-8-20)23(10-12-29-23)19-9-11-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;15-13-9-11(5-7-17-13)14(6-8-18-14)10-1-3-12(16)4-2-10;15-12-3-1-10(2-4-12)14(6-8-18-14)11-5-7-16-13(17)9-11;10-6-5-9(12)7-1-3-8(11)4-2-7/h2-10,12,14H,11,13,15H2,1H3;1-9,11,13,26H,10,12,14-15H2;1-5,7,9H,6,8H2;1-5,7,9H,6,8H2,(H,16,17);1-4H,5-6H2
InChIKeyOBXXQUOZUXUMTB-UHFFFAOYSA-N
XLogP14.71
TPSA207.34 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.39
LogP ≤ 514.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 159949588) is 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.
What is the SMILES notation for 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The canonical SMILES for 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCO2)cc1.O=C(CCCl)c1ccc(F)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCO2)cc[nH]1.
What is the InChIKey of 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The InChIKey is OBXXQUOZUXUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20FNO4.C14H11ClFNO.C14H12FNO2.C9H8ClFO/c1-28-22(27)17-4-2-16(3-5-17)15-25-12-10-19(14-21(25)26)23(11-13-29-23)18-6-8-20(24)9-7-18;24-20-7-5-18(6-8-20)23(10-12-29-23)19-9-11-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;15-13-9-11(5-7-17-13)14(6-8-18-14)10-1-3-12(16)4-2-10;15-12-3-1-10(2-4-12)14(6-8-18-14)11-5-7-16-13(17)9-11;10-6-5-9(12)7-1-3-8(11)4-2-7/h2-10,12,14H,11,13,15H2,1H3;1-9,11,13,26H,10,12,14-15H2;1-5,7,9H,6,8H2;1-5,7,9H,6,8H2,(H,16,17);1-4H,5-6H2.
What are the key properties of 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 1482.39 g/mol, XLogP of 14.71, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-fluorophenyl)oxetan-2-yl]pyridine;3-chloro-1-(4-fluorophenyl)propan-1-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxetan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxetan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 159949588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).