3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate

C70H48Cl10F5N7O9 — CID 160648823

About 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate

3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate (PubChem CID 160648823) has the molecular formula C70H48Cl10F5N7O9 and a molecular weight of 1580.71 g/mol. Its IUPAC name is 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate.

Molecular Properties

• Compound Name: 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate
• PubChem CID: 160648823
• Molecular Formula: C70H48Cl10F5N7O9
• Molecular Weight: 1580.71 g/mol
• Exact Mass: 1575.03
• IUPAC Name: 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate
• SMILES: COC(=O)CC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.OCCC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
• InChI: InChI=1S/C15H12Cl2FNO3.C14H9Cl2FN2O.C14H7Cl2FN2O.C14H12Cl2FNO2.C13H8Cl2FNO2/c1-22-15(21)7-13(20)9-5-12(19-14(17)6-9)8-2-3-11(18)10(16)4-8;2*15-10-5-8(1-2-11(10)17)12-6-9(7-14(16)19-12)13(20)3-4-18;15-10-5-8(1-2-11(10)17)12-6-9(7-14(16)18-12)13(20)3-4-19;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7/h2-6,13,20H,7H2,1H3;1-2,5-7,13,20H,3H2;1-2,5-7H,3H2;1-2,5-7,13,19-20H,3-4H2;2-6H,1H3
• InChIKey: RKDMULYPCWPKBY-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 262.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.71
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate?

The IUPAC name of 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate (CID 160648823) is 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate.

What is the SMILES notation for 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate?

The canonical SMILES for 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate is COC(=O)CC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.OCCC(O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.

What is the InChIKey of 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate?

The InChIKey is RKDMULYPCWPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3.C14H9Cl2FN2O.C14H7Cl2FN2O.C14H12Cl2FNO2.C13H8Cl2FNO2/c1-22-15(21)7-13(20)9-5-12(19-14(17)6-9)8-2-3-11(18)10(16)4-8;2*15-10-5-8(1-2-11(10)17)12-6-9(7-14(16)19-12)13(20)3-4-18;15-10-5-8(1-2-11(10)17)12-6-9(7-14(16)18-12)13(20)3-4-19;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7/h2-6,13,20H,7H2,1H3;1-2,5-7,13,20H,3H2;1-2,5-7H,3H2;1-2,5-7,13,19-20H,3-4H2;2-6H,1H3.

What are the key properties of 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate?

3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate has a molecular weight of 1580.71 g/mol, XLogP of 19.81, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanenitrile;3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-oxopropanenitrile;1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propane-1,3-diol;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 3-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxypropanoate is sourced from PubChem (CID 160648823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).