2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene

C197H247Cl5F10N12O2 — CID 158758595

About 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene

2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene (PubChem CID 158758595) has the molecular formula C197H247Cl5F10N12O2 and a molecular weight of 3182.47 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene.

Molecular Properties

• Compound Name: 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
• PubChem CID: 158758595
• Molecular Formula: C197H247Cl5F10N12O2
• Molecular Weight: 3182.47 g/mol
• Exact Mass: 3177.79
• IUPAC Name: 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
• SMILES: CC(C)(C)C1C=NN=C1c1ccc(Cl)cc1Cl.CC(C)(C)C1CCc2occ(-c3ccc(F)cc3)c2C1.CC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
• InChI: InChI=1S/C18H21FO.C17H17F3.C16H15ClF2.C16H19N.C16H18O.C15H14ClF2N.C15H20N2.C13H14Cl2N2.C12H17N.C12H24.C10H12N2.2C10H15N.C9H11ClFN.C8H15F/c1-18(2,3)13-6-9-17-15(10-13)16(11-20-17)12-4-7-14(19)8-5-12;1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-15(2,3)13-6-4-5-12(19-13)14-10(16)7-9(17)8-11(14)18;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-13(2,3)10-7-16-17-12(10)9-5-4-8(14)6-11(9)15;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-10(2,3)9-6-4-5-8(7-11)12-9;1-8-5-9(7-11-6-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-6(11)4-5-7(10)12-8;1-6(2)7(9)8(3,4)5/h4-5,7-8,11,13H,6,9-10H2,1-3H3;5-9H,1-4H3;4-9H,1-3H3;5-11H,1-4H3;4-12H,1-3H3;4-8H,1-3H3;4-7,16H,8-10H2,1-3H3;4-7,10H,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;4-5H,1-3H3;1-5H3
• InChIKey: IOJPCBHSDQRMTC-UHFFFAOYSA-N
• XLogP: 59.67
• TPSA: 180.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3182.47
LogP ≤ 5	59.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?

The IUPAC name of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene (CID 158758595) is 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene.

What is the SMILES notation for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?

The canonical SMILES for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene is CC(C)(C)C1C=NN=C1c1ccc(Cl)cc1Cl.CC(C)(C)C1CCc2occ(-c3ccc(F)cc3)c2C1.CC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?

The InChIKey is IOJPCBHSDQRMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO.C17H17F3.C16H15ClF2.C16H19N.C16H18O.C15H14ClF2N.C15H20N2.C13H14Cl2N2.C12H17N.C12H24.C10H12N2.2C10H15N.C9H11ClFN.C8H15F/c1-18(2,3)13-6-9-17-15(10-13)16(11-20-17)12-4-7-14(19)8-5-12;1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-15(2,3)13-6-4-5-12(19-13)14-10(16)7-9(17)8-11(14)18;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-13(2,3)10-7-16-17-12(10)9-5-4-8(14)6-11(9)15;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-10(2,3)9-6-4-5-8(7-11)12-9;1-8-5-9(7-11-6-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-6(11)4-5-7(10)12-8;1-6(2)7(9)8(3,4)5/h4-5,7-8,11,13H,6,9-10H2,1-3H3;5-9H,1-4H3;4-9H,1-3H3;5-11H,1-4H3;4-12H,1-3H3;4-8H,1-3H3;4-7,16H,8-10H2,1-3H3;4-7,10H,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;4-5H,1-3H3;1-5H3.

What are the key properties of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?

2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene has a molecular weight of 3182.47 g/mol, XLogP of 59.67, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene is sourced from PubChem (CID 158758595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).