benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile

C91H72Cl12F6N10O6S — CID 159424265

About benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile

benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile (PubChem CID 159424265) has the molecular formula C91H72Cl12F6N10O6S and a molecular weight of 1973.13 g/mol. Its IUPAC name is benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile
• PubChem CID: 159424265
• Molecular Formula: C91H72Cl12F6N10O6S
• Molecular Weight: 1973.13 g/mol
• Exact Mass: 1966.15
• IUPAC Name: benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile
• SMILES: CC(C)(C#N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(CN)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(CNC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CS(=O)(=O)OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
• InChI: InChI=1S/C23H21Cl2FN2O2.C15H15Cl2FN2.C15H11Cl2FN2.C13H7Cl2FN2.C13H10Cl2FNO3S.C12H8Cl2FNO/c1-23(2,14-27-22(29)30-13-15-6-4-3-5-7-15)17-11-20(28-21(25)12-17)16-8-9-19(26)18(24)10-16;2*1-15(2,8-19)10-6-13(20-14(17)7-10)9-3-4-12(18)11(16)5-9;14-10-7-9(1-2-11(10)16)12-5-8(3-4-17)6-13(15)18-12;1-21(18,19)20-7-8-4-12(17-13(15)5-8)9-2-3-11(16)10(14)6-9;13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11/h3-12H,13-14H2,1-2H3,(H,27,29);3-7H,8,19H2,1-2H3;3-7H,1-2H3;1-2,5-7H,3H2;2-6H,7H2,1H3;1-5,17H,6H2
• InChIKey: LQDMLCLFOPXVEV-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 252.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.13
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile?

The IUPAC name of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile (CID 159424265) is benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile.

What is the SMILES notation for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile?

The canonical SMILES for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile is CC(C)(C#N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(CN)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(CNC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CS(=O)(=O)OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#CCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.

What is the InChIKey of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile?

The InChIKey is LQDMLCLFOPXVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2.C15H15Cl2FN2.C15H11Cl2FN2.C13H7Cl2FN2.C13H10Cl2FNO3S.C12H8Cl2FNO/c1-23(2,14-27-22(29)30-13-15-6-4-3-5-7-15)17-11-20(28-21(25)12-17)16-8-9-19(26)18(24)10-16;2*1-15(2,8-19)10-6-13(20-14(17)7-10)9-3-4-12(18)11(16)5-9;14-10-7-9(1-2-11(10)16)12-5-8(3-4-17)6-13(15)18-12;1-21(18,19)20-7-8-4-12(17-13(15)5-8)9-2-3-11(16)10(14)6-9;13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11/h3-12H,13-14H2,1-2H3,(H,27,29);3-7H,8,19H2,1-2H3;3-7H,1-2H3;1-2,5-7H,3H2;2-6H,7H2,1H3;1-5,17H,6H2.

What are the key properties of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile?

benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile has a molecular weight of 1973.13 g/mol, XLogP of 27.44, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetonitrile;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methyl methanesulfonate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropan-1-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 159424265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).