3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene

C173H193BrCl9F11N12O — CID 158026714

About 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene (PubChem CID 158026714) has the molecular formula C173H193BrCl9F11N12O and a molecular weight of 3064.49 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene
• PubChem CID: 158026714
• Molecular Formula: C173H193BrCl9F11N12O
• Molecular Weight: 3064.49 g/mol
• Exact Mass: 3057.16
• IUPAC Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene
• SMILES: CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(-c2cc(F)c(F)c(Cl)c2Cl)c1F.CC(C)(C)c1cccc(-c2ccc(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)c1F.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)c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C16H13Cl2F3.C16H15ClF2.C16H16ClF.C15H14ClF2N.C15H16ClN.C15H16O.C12H15N3.C12H17N.C10H12ClF.C10H12N2.C9H12BrN.C9H11ClFN.C9H12ClN.C9H12FN/c1-16(2,3)10-6-4-5-8(14(10)20)9-7-11(19)15(21)13(18)12(9)17;1-16(2,3)13-6-4-5-12(15(13)19)11-8-7-10(18)9-14(11)17;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;1-12(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(15-11)9-7-13-14-8-9;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-10(2,3)7-5-4-6-8(11)9(7)12;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/h4-7H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;3-12H,1-2H3;4-8H,1-3H3,(H,13,14);4-6,9H,7-8H2,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
• InChIKey: FGRNMQMVKIPYGJ-UHFFFAOYSA-N
• XLogP: 55.60
• TPSA: 177.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3064.49
LogP ≤ 5	55.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene?

The IUPAC name of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene (CID 158026714) is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene.

What is the SMILES notation for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene?

The canonical SMILES for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene is CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)n1.CC(C)(C)c1cccc(-c2cc(F)c(F)c(Cl)c2Cl)c1F.CC(C)(C)c1cccc(-c2ccc(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)c1F.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)c1cccc(Oc2ccccc2)c1.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene?

The InChIKey is FGRNMQMVKIPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3.C16H15ClF2.C16H16ClF.C15H14ClF2N.C15H16ClN.C15H16O.C12H15N3.C12H17N.C10H12ClF.C10H12N2.C9H12BrN.C9H11ClFN.C9H12ClN.C9H12FN/c1-16(2,3)10-6-4-5-8(14(10)20)9-7-11(19)15(21)13(18)12(9)17;1-16(2,3)13-6-4-5-12(15(13)19)11-8-7-10(18)9-14(11)17;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;1-12(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(15-11)9-7-13-14-8-9;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-10(2,3)7-5-4-6-8(11)9(7)12;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/h4-7H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;3-12H,1-2H3;4-8H,1-3H3,(H,13,14);4-6,9H,7-8H2,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3.

What are the key properties of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene?

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene has a molecular weight of 3064.49 g/mol, XLogP of 55.60, 10 rotatable bonds, 1 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;1-tert-butyl-3-chloro-2-fluorobenzene;1-tert-butyl-3-(2-chloro-4-fluorophenyl)-2-fluorobenzene;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;1-(3-tert-butyl-2-fluorophenyl)-2,3-dichloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;6-tert-butylpyridine-2-carbonitrile;1-phenoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 158026714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).