3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene

C135H175BrCl2F7N7O2 — CID 157379250

About 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene (PubChem CID 157379250) has the molecular formula C135H175BrCl2F7N7O2 and a molecular weight of 2211.73 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene
• PubChem CID: 157379250
• Molecular Formula: C135H175BrCl2F7N7O2
• Molecular Weight: 2211.73 g/mol
• Exact Mass: 2208.23
• IUPAC Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene
• SMILES: CC(C)(C)C1CCc2occ(-c3ccc(F)cc3)c2C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(Oc2ccccc2)c1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)cc(F)c1-c1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
• InChI: InChI=1S/C18H21FO.C16H15ClF2.C16H17F2N.C15H16O.C12H17N.C12H24.C10H12N2.C10H15N.C9H12BrN.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;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-10-8-11(17)9-12(18)15(10)13-6-5-7-14(19-13)16(2,3)4;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;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;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;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;4-9H,1-3H3;5-9H,1-4H3;3-12H,1-2H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;1-5H3
• InChIKey: BKRJFXIPDRZDCW-UHFFFAOYSA-N
• XLogP: 42.11
• TPSA: 123.50 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2211.73
LogP ≤ 5	42.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene?

The IUPAC name of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene (CID 157379250) is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene.

What is the SMILES notation for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene?

The canonical SMILES for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene is CC(C)(C)C1CCc2occ(-c3ccc(F)cc3)c2C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(Oc2ccccc2)c1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)cc(F)c1-c1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene?

The InChIKey is BKRJFXIPDRZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO.C16H15ClF2.C16H17F2N.C15H16O.C12H17N.C12H24.C10H12N2.C10H15N.C9H12BrN.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;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-10-8-11(17)9-12(18)15(10)13-6-5-7-14(19-13)16(2,3)4;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;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;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;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;4-9H,1-3H3;5-9H,1-4H3;3-12H,1-2H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;1-5H3.

What are the key properties of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene?

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene has a molecular weight of 2211.73 g/mol, XLogP of 42.11, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 157379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).