2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene

C197H235Cl3F12N10O — CID 161426824

About 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene

2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene (PubChem CID 161426824) has the molecular formula C197H235Cl3F12N10O and a molecular weight of 3093.45 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene
• PubChem CID: 161426824
• Molecular Formula: C197H235Cl3F12N10O
• Molecular Weight: 3093.45 g/mol
• Exact Mass: 3089.75
• IUPAC Name: 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene
• SMILES: CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(-c2ccc(F)cc2Cl)c1F.CC(C)(C)c1cccc(-c2ccccc2Cl)n1.CC(C)(C)c1cccc(C2=CCN=C2)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(-c2cccc(C(C)(C)C)c2F)c1.Cc1cccc(C(C)(C)C)c1F.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
• InChI: InChI=1S/C17H17F3.C17H19F.C16H15ClF2.C16H16F2.C15H14ClF2N.C15H16ClN.C15H16O.C13H16N2.C12H17N.C11H15F.C10H14FN.4C10H15N/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-12-7-5-8-13(11-12)14-9-6-10-15(16(14)18)17(2,3)4;1-16(2,3)13-6-4-5-12(15(13)19)11-8-7-10(18)9-14(11)17;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;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)14-10-6-9-13(17-14)11-7-4-5-8-12(11)16;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-13(2,3)12-6-4-5-11(15-12)10-7-8-14-9-10;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-8-6-5-7-9(10(8)12)11(2,3)4;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4/h5-9H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;3-12H,1-2H3;4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;4*5-7H,1-4H3
• InChIKey: VXLTYDHNQKFJMT-UHFFFAOYSA-N
• XLogP: 58.51
• TPSA: 137.60 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3093.45
LogP ≤ 5	58.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene?

The IUPAC name of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene (CID 161426824) is 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene.

What is the SMILES notation for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene?

The canonical SMILES for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene is CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(-c2ccc(F)cc2Cl)c1F.CC(C)(C)c1cccc(-c2ccccc2Cl)n1.CC(C)(C)c1cccc(C2=CCN=C2)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(-c2cccc(C(C)(C)C)c2F)c1.Cc1cccc(C(C)(C)C)c1F.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(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;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene?

The InChIKey is VXLTYDHNQKFJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3.C17H19F.C16H15ClF2.C16H16F2.C15H14ClF2N.C15H16ClN.C15H16O.C13H16N2.C12H17N.C11H15F.C10H14FN.4C10H15N/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-12-7-5-8-13(11-12)14-9-6-10-15(16(14)18)17(2,3)4;1-16(2,3)13-6-4-5-12(15(13)19)11-8-7-10(18)9-14(11)17;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;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)14-10-6-9-13(17-14)11-7-4-5-8-12(11)16;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-13(2,3)12-6-4-5-11(15-12)10-7-8-14-9-10;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-8-6-5-7-9(10(8)12)11(2,3)4;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4/h5-9H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;3-12H,1-2H3;4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;4*5-7H,1-4H3.

What are the key properties of 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene?

2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene has a molecular weight of 3093.45 g/mol, XLogP of 58.51, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-phenoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 161426824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).