2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate

C79H68BClF11N15O14 — CID 158852456

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate (PubChem CID 158852456) has the molecular formula C79H68BClF11N15O14 and a molecular weight of 1706.75 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate
• PubChem CID: 158852456
• Molecular Formula: C79H68BClF11N15O14
• Molecular Weight: 1706.75 g/mol
• Exact Mass: 1705.47
• IUPAC Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate
• SMILES: FC1(F)CCNC1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CCC(F)(F)C1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCC(F)(F)C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])Oc1ccccc1.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C19H13FN2O4.C17H14F3N3O3.C17H16F3N3O.C11H8FN3O2.C6H6BFO2.C5H4ClN3O2.C4H7F2N/c20-14-8-6-13(7-9-14)16-10-11-18(22(24)25)17(21-16)12-19(23)26-15-4-2-1-3-5-15;18-12-3-1-11(2-4-12)13-5-6-15(23(25)26)14(21-13)9-16(24)22-8-7-17(19,20)10-22;18-12-3-1-11(2-4-12)14-6-5-13(21)15(22-14)9-16(24)23-8-7-17(19,20)10-23;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(9(10)11)5(7)8-4;5-4(6)1-2-7-3-4/h1-11H,12H2;1-6H,7-10H2;1-6H,7-10,21H2;1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);7H,1-3H2
• InChIKey: IZQCIKXQFBYNCR-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 434.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1706.75
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate?

The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate (CID 158852456) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate.

What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate?

The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate is FC1(F)CCNC1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CCC(F)(F)C1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCC(F)(F)C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])Oc1ccccc1.OB(O)c1ccc(F)cc1.

What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate?

The InChIKey is IZQCIKXQFBYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4.C17H14F3N3O3.C17H16F3N3O.C11H8FN3O2.C6H6BFO2.C5H4ClN3O2.C4H7F2N/c20-14-8-6-13(7-9-14)16-10-11-18(22(24)25)17(21-16)12-19(23)26-15-4-2-1-3-5-15;18-12-3-1-11(2-4-12)13-5-6-15(23(25)26)14(21-13)9-16(24)22-8-7-17(19,20)10-22;18-12-3-1-11(2-4-12)14-6-5-13(21)15(22-14)9-16(24)23-8-7-17(19,20)10-23;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(9(10)11)5(7)8-4;5-4(6)1-2-7-3-4/h1-11H,12H2;1-6H,7-10H2;1-6H,7-10,21H2;1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);7H,1-3H2.

What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate?

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate has a molecular weight of 1706.75 g/mol, XLogP of 13.75, 16 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone;6-chloro-3-nitropyridin-2-amine;3,3-difluoropyrrolidine;1-(3,3-difluoropyrrolidin-1-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;phenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetate is sourced from PubChem (CID 158852456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).