benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile

C124H111Cl5F9N17O12 — CID 158968066

About benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile

benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile (PubChem CID 158968066) has the molecular formula C124H111Cl5F9N17O12 and a molecular weight of 2379.61 g/mol. Its IUPAC name is benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile.

Molecular Properties

• Compound Name: benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile
• PubChem CID: 158968066
• Molecular Formula: C124H111Cl5F9N17O12
• Molecular Weight: 2379.61 g/mol
• Exact Mass: 2375.69
• IUPAC Name: benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile
• SMILES: C=C(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(C#N)cc2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(C#N)cc2)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CCC(O)(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.N#Cc1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C27H26F3N3O3.C26H25F3N4O3.C26H22F3N3O2.C23H20ClN3O2.C16H16Cl2N2O2.C6H2Cl2N2/c1-4-26(35,27(28,29)30)23-15-21(14-22(32-23)20-12-10-18(16-31)11-13-20)25(2,3)33-24(34)36-17-19-8-6-5-7-9-19;1-24(2,33-23(34)36-15-18-6-4-3-5-7-18)20-12-21(19-10-8-17(14-30)9-11-19)32-22(13-20)25(35,16-31)26(27,28)29;1-17(26(27,28)29)22-13-21(14-23(31-22)20-11-9-18(15-30)10-12-20)25(2,3)32-24(33)34-16-19-7-5-4-6-8-19;1-23(2,27-22(28)29-15-17-6-4-3-5-7-17)19-12-20(26-21(24)13-19)18-10-8-16(14-25)9-11-18;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;7-5-1-4(3-9)2-6(8)10-5/h5-15,35H,4,17H2,1-3H3,(H,33,34);3-13,35H,15-16,31H2,1-2H3,(H,33,34);4-14H,1,16H2,2-3H3,(H,32,33);3-13H,15H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1-2H
• InChIKey: JNLOPSKFNFEJPN-UHFFFAOYSA-N
• XLogP: 29.03
• TPSA: 454.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.61
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?

The IUPAC name of benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile (CID 158968066) is benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile.

What is the SMILES notation for benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?

The canonical SMILES for benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile is C=C(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(C#N)cc2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(C#N)cc2)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CCC(O)(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.N#Cc1cc(Cl)nc(Cl)c1.

What is the InChIKey of benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?

The InChIKey is JNLOPSKFNFEJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O3.C26H25F3N4O3.C26H22F3N3O2.C23H20ClN3O2.C16H16Cl2N2O2.C6H2Cl2N2/c1-4-26(35,27(28,29)30)23-15-21(14-22(32-23)20-12-10-18(16-31)11-13-20)25(2,3)33-24(34)36-17-19-8-6-5-7-9-19;1-24(2,33-23(34)36-15-18-6-4-3-5-7-18)20-12-21(19-10-8-17(14-30)9-11-19)32-22(13-20)25(35,16-31)26(27,28)29;1-17(26(27,28)29)22-13-21(14-23(31-22)20-11-9-18(15-30)10-12-20)25(2,3)32-24(33)34-16-19-7-5-4-6-8-19;1-23(2,27-22(28)29-15-17-6-4-3-5-7-17)19-12-20(26-21(24)13-19)18-10-8-16(14-25)9-11-18;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;7-5-1-4(3-9)2-6(8)10-5/h5-15,35H,4,17H2,1-3H3,(H,33,34);3-13,35H,15-16,31H2,1-2H3,(H,33,34);4-14H,1,16H2,2-3H3,(H,32,33);3-13H,15H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1-2H.

What are the key properties of benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?

benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile has a molecular weight of 2379.61 g/mol, XLogP of 29.03, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile is sourced from PubChem (CID 158968066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).