2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid

C90H72BrCl4F10N13O11 — CID 160694256

IUPAC2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid
SMILESCON(C)C(=O)CCc1ccc(F)cc1F.Clc1ccc(Oc2ccc(Br)nc2)nc1.Fc1ccc(CCC2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)c(F)c1.O=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1.O=C(O)CCc1ccc(F)cc1F.OC(CCc1ccc(F)cc1F)(Cn1cnnn1)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C21H17ClF2N6O2.C20H15ClF2N2O2.C19H13ClF2N2O2.C11H13F2NO2.C10H6BrClN2O.C9H8F2O2/c22-15-2-6-20(26-10-15)32-17-4-5-19(25-11-17)21(31,12-30-13-27-28-29-30)8-7-14-1-3-16(23)9-18(14)24;21-14-2-6-19(25-10-14)27-16-4-5-18(24-11-16)20(12-26-20)8-7-13-1-3-15(22)9-17(13)23;20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22;1-14(16-2)11(15)6-4-8-3-5-9(12)7-10(8)13;11-9-3-2-8(6-13-9)15-10-4-1-7(12)5-14-10;10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-6,9-11,13,31H,7-8,12H2;1-6,9-11H,7-8,12H2;1,3-6,8-11H,2,7H2;3,5,7H,4,6H2,1-2H3;1-6H;1,3,5H,2,4H2,(H,12,13)
InChIKeyRPUJXBDCBSXCTK-UHFFFAOYSA-N
MW1923.34 g/mol
LogP21.37
Rot. Bonds29

About 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid

2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid (PubChem CID 160694256) has the molecular formula C90H72BrCl4F10N13O11 and a molecular weight of 1923.34 g/mol. Its IUPAC name is 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid
PubChem CID160694256
Molecular FormulaC90H72BrCl4F10N13O11
Molecular Weight1923.34 g/mol
Exact Mass1919.33
IUPAC Name2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid
SMILESCON(C)C(=O)CCc1ccc(F)cc1F.Clc1ccc(Oc2ccc(Br)nc2)nc1.Fc1ccc(CCC2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)c(F)c1.O=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1.O=C(O)CCc1ccc(F)cc1F.OC(CCc1ccc(F)cc1F)(Cn1cnnn1)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C21H17ClF2N6O2.C20H15ClF2N2O2.C19H13ClF2N2O2.C11H13F2NO2.C10H6BrClN2O.C9H8F2O2/c22-15-2-6-20(26-10-15)32-17-4-5-19(25-11-17)21(31,12-30-13-27-28-29-30)8-7-14-1-3-16(23)9-18(14)24;21-14-2-6-19(25-10-14)27-16-4-5-18(24-11-16)20(12-26-20)8-7-13-1-3-15(22)9-17(13)23;20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22;1-14(16-2)11(15)6-4-8-3-5-9(12)7-10(8)13;11-9-3-2-8(6-13-9)15-10-4-1-7(12)5-14-10;10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-6,9-11,13,31H,7-8,12H2;1-6,9-11H,7-8,12H2;1,3-6,8-11H,2,7H2;3,5,7H,4,6H2,1-2H3;1-6H;1,3,5H,2,4H2,(H,12,13)
InChIKeyRPUJXBDCBSXCTK-UHFFFAOYSA-N
XLogP21.37
TPSA300.31 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.34
LogP ≤ 521.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid?
The IUPAC name of 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid (CID 160694256) is 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid?
The canonical SMILES for 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid is CON(C)C(=O)CCc1ccc(F)cc1F.Clc1ccc(Oc2ccc(Br)nc2)nc1.Fc1ccc(CCC2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)c(F)c1.O=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1.O=C(O)CCc1ccc(F)cc1F.OC(CCc1ccc(F)cc1F)(Cn1cnnn1)c1ccc(Oc2ccc(Cl)cn2)cn1.
What is the InChIKey of 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid?
The InChIKey is RPUJXBDCBSXCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N6O2.C20H15ClF2N2O2.C19H13ClF2N2O2.C11H13F2NO2.C10H6BrClN2O.C9H8F2O2/c22-15-2-6-20(26-10-15)32-17-4-5-19(25-11-17)21(31,12-30-13-27-28-29-30)8-7-14-1-3-16(23)9-18(14)24;21-14-2-6-19(25-10-14)27-16-4-5-18(24-11-16)20(12-26-20)8-7-13-1-3-15(22)9-17(13)23;20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22;1-14(16-2)11(15)6-4-8-3-5-9(12)7-10(8)13;11-9-3-2-8(6-13-9)15-10-4-1-7(12)5-14-10;10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-6,9-11,13,31H,7-8,12H2;1-6,9-11H,7-8,12H2;1,3-6,8-11H,2,7H2;3,5,7H,4,6H2,1-2H3;1-6H;1,3,5H,2,4H2,(H,12,13).
What are the key properties of 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid?
2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid has a molecular weight of 1923.34 g/mol, XLogP of 21.37, 29 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 160694256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).