1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone

C89H64Cl3F6N15O10S — CID 158347180

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 158347180) has the molecular formula C89H64Cl3F6N15O10S and a molecular weight of 1756.00 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
• PubChem CID: 158347180
• Molecular Formula: C89H64Cl3F6N15O10S
• Molecular Weight: 1756.00 g/mol
• Exact Mass: 1753.37
• IUPAC Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
• SMILES: Cc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(F)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.O=C(Cc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1cccc(F)n1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1nc(C2CC2)cs1)c1cc(F)cc(Oc2cncnc2)c1
• InChI: InChI=1S/C18H11ClF3N3O2.C18H14ClN3O2.C18H14FN3O2S.C18H14FN3O2.C17H11ClFN3O2/c19-13-3-11(4-15(5-13)27-16-8-23-10-24-9-16)17(26)6-14-2-1-12(7-25-14)18(20,21)22;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;19-13-3-12(4-14(5-13)24-15-7-20-10-21-8-15)17(23)6-18-22-16(9-25-18)11-1-2-11;1-12-4-13(18(23)7-15-3-2-14(19)8-22-15)6-16(5-12)24-17-9-20-11-21-10-17;18-12-4-11(16(23)7-13-2-1-3-17(19)22-13)5-14(6-12)24-15-8-20-10-21-9-15/h1-5,7-10H,6H2;2,4-11H,3H2,1H3;3-5,7-11H,1-2,6H2;2-6,8-11H,7H2,1H3;1-6,8-10H,7H2
• InChIKey: GRWJXFKYYSJEAY-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 324.85 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.00
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone?

The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone (CID 158347180) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone.

What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone?

The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone is Cc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(F)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.O=C(Cc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1cccc(F)n1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1nc(C2CC2)cs1)c1cc(F)cc(Oc2cncnc2)c1.

What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone?

The InChIKey is GRWJXFKYYSJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2.C18H14ClN3O2.C18H14FN3O2S.C18H14FN3O2.C17H11ClFN3O2/c19-13-3-11(4-15(5-13)27-16-8-23-10-24-9-16)17(26)6-14-2-1-12(7-25-14)18(20,21)22;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;19-13-3-12(4-14(5-13)24-15-7-20-10-21-8-15)17(23)6-18-22-16(9-25-18)11-1-2-11;1-12-4-13(18(23)7-15-3-2-14(19)8-22-15)6-16(5-12)24-17-9-20-11-21-10-17;18-12-4-11(16(23)7-13-2-1-3-17(19)22-13)5-14(6-12)24-15-8-20-10-21-9-15/h1-5,7-10H,6H2;2,4-11H,3H2,1H3;3-5,7-11H,1-2,6H2;2-6,8-11H,7H2,1H3;1-6,8-10H,7H2.

What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone?

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 1756.00 g/mol, XLogP of 20.40, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 158347180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).