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

C107H96BrCl2F5N6O15 — CID 157328984

IUPAC4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1
InChIInChI=1S/3C24H22FNO4.C15H13ClFNO.C15H14FNO2.C5H3BrClN/c1-29-23(28)18-5-3-17(4-6-18)16-26-13-11-20(15-22(26)27)24(12-2-14-30-24)19-7-9-21(25)10-8-19;2*25-21-8-6-19(7-9-21)24(11-1-13-30-24)20-10-12-26(23(29)14-20)15-17-2-4-18(5-3-17)22(28)16-27;16-14-10-12(6-8-18-14)15(7-1-9-19-15)11-2-4-13(17)5-3-11;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12;6-4-1-2-8-5(7)3-4/h3-11,13,15H,2,12,14,16H2,1H3;2*2-10,12,14,27H,1,11,13,15-16H2;2-6,8,10H,1,7,9H2;2-6,8,10H,1,7,9H2,(H,17,18);1-3H
InChIKeyBFBHHTUWXAIVBV-UHFFFAOYSA-N
MW1951.77 g/mol
LogP19.40
Rot. Bonds21

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

4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 157328984) has the molecular formula C107H96BrCl2F5N6O15 and a molecular weight of 1951.77 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

Compound Name4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
PubChem CID157328984
Molecular FormulaC107H96BrCl2F5N6O15
Molecular Weight1951.77 g/mol
Exact Mass1948.54
IUPAC Name4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1
InChIInChI=1S/3C24H22FNO4.C15H13ClFNO.C15H14FNO2.C5H3BrClN/c1-29-23(28)18-5-3-17(4-6-18)16-26-13-11-20(15-22(26)27)24(12-2-14-30-24)19-7-9-21(25)10-8-19;2*25-21-8-6-19(7-9-21)24(11-1-13-30-24)20-10-12-26(23(29)14-20)15-17-2-4-18(5-3-17)22(28)16-27;16-14-10-12(6-8-18-14)15(7-1-9-19-15)11-2-4-13(17)5-3-11;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12;6-4-1-2-8-5(7)3-4/h3-11,13,15H,2,12,14,16H2,1H3;2*2-10,12,14,27H,1,11,13,15-16H2;2-6,8,10H,1,7,9H2;2-6,8,10H,1,7,9H2,(H,17,18);1-3H
InChIKeyBFBHHTUWXAIVBV-UHFFFAOYSA-N
XLogP19.40
TPSA271.69 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001951.77
LogP ≤ 519.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 157328984) is 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.
What is the SMILES notation for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The canonical SMILES for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1.
What is the InChIKey of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The InChIKey is BFBHHTUWXAIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H22FNO4.C15H13ClFNO.C15H14FNO2.C5H3BrClN/c1-29-23(28)18-5-3-17(4-6-18)16-26-13-11-20(15-22(26)27)24(12-2-14-30-24)19-7-9-21(25)10-8-19;2*25-21-8-6-19(7-9-21)24(11-1-13-30-24)20-10-12-26(23(29)14-20)15-17-2-4-18(5-3-17)22(28)16-27;16-14-10-12(6-8-18-14)15(7-1-9-19-15)11-2-4-13(17)5-3-11;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12;6-4-1-2-8-5(7)3-4/h3-11,13,15H,2,12,14,16H2,1H3;2*2-10,12,14,27H,1,11,13,15-16H2;2-6,8,10H,1,7,9H2;2-6,8,10H,1,7,9H2,(H,17,18);1-3H.
What are the key properties of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 1951.77 g/mol, XLogP of 19.40, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)oxolan-2-yl]pyridine;bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 157328984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).