3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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

C183H225BrCl7F11N14 — CID 158936364

About 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 158936364) has the molecular formula C183H225BrCl7F11N14 and a molecular weight of 3157.96 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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: 158936364
• Molecular Formula: C183H225BrCl7F11N14
• Molecular Weight: 3157.96 g/mol
• Exact Mass: 3151.49
• IUPAC Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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)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(-c2cc(F)c(F)cc2Cl)c1F.CC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(-c2ccccc2Cl)n1.CC(C)(C)c1cccc(-c2cn[nH]c2)n1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1
• InChI: InChI=1S/C16H14ClF3.C16H15ClF2.C16H16ClF.C15H14ClF2N.C15H16ClN.C15H20N2.C12H15N3.C12H17N.C12H24.C10H12N2.C9H12BrN.C9H11ClFN.C9H12ClN.C9H12FN.C8H15F/c1-16(2,3)11-6-4-5-9(15(11)20)10-7-13(18)14(19)8-12(10)17;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;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;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-12(2,3)11-6-4-5-10(15-11)9-7-13-14-8-9;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;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-6(11)4-5-7(10)12-8;2*1-9(2,3)7-5-4-6-8(10)11-7;1-6(2)7(9)8(3,4)5/h4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;4-7,16H,8-10H2,1-3H3;4-8H,1-3H3,(H,13,14);4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;1-5H3
• InChIKey: JJRTZJZYQGFLBV-UHFFFAOYSA-N
• XLogP: 57.43
• TPSA: 187.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3157.96
LogP ≤ 5	57.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 158936364) is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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)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(-c2cc(F)c(F)cc2Cl)c1F.CC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(-c2ccccc2Cl)n1.CC(C)(C)c1cccc(-c2cn[nH]c2)n1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1nc(Cl)ccc1F.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 JJRTZJZYQGFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3.C16H15ClF2.C16H16ClF.C15H14ClF2N.C15H16ClN.C15H20N2.C12H15N3.C12H17N.C12H24.C10H12N2.C9H12BrN.C9H11ClFN.C9H12ClN.C9H12FN.C8H15F/c1-16(2,3)11-6-4-5-9(15(11)20)10-7-13(18)14(19)8-12(10)17;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;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;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-12(2,3)11-6-4-5-10(15-11)9-7-13-14-8-9;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;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-6(11)4-5-7(10)12-8;2*1-9(2,3)7-5-4-6-8(10)11-7;1-6(2)7(9)8(3,4)5/h4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;4-7,16H,8-10H2,1-3H3;4-8H,1-3H3,(H,13,14);4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;1-5H3.

What are the key properties of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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?

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 3157.96 g/mol, XLogP of 57.43, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;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 158936364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).