1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene

C135H191Cl7F4N8O3 — CID 163730571

About 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene

1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene (PubChem CID 163730571) has the molecular formula C135H191Cl7F4N8O3 and a molecular weight of 2298.23 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene.

Molecular Properties

• Compound Name: 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene
• PubChem CID: 163730571
• Molecular Formula: C135H191Cl7F4N8O3
• Molecular Weight: 2298.23 g/mol
• Exact Mass: 2293.28
• IUPAC Name: 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene
• SMILES: CC(C)(C)c1c(F)cccc1Cl.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1ncc(C)c(C(C)(C)C)c1C.COc1ncc(C)c(C(C)(C)C)c1Cl.COc1nccc(C)c1C(C)(C)C.Cc1[nH]nc(Cl)c1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)c(Cl)n1.Cc1ccc(F)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccnc(Cl)c1C(C)(C)C.Cc1nccc(Cl)c1C(C)(C)C
• InChI: InChI=1S/C12H19NO.C11H16ClNO.C11H16ClN.C11H15F.C11H17NO.C11H16.C10H12ClF.2C10H14ClN.C10H13Cl.2C10H13F.C8H13ClN2/c1-8-7-13-11(14-6)9(2)10(8)12(3,4)5;1-7-6-13-10(14-5)9(12)8(7)11(2,3)4;1-7-6-8(2)13-10(12)9(7)11(3,4)5;1-8-5-6-10(12)9(7-8)11(2,3)4;1-8-6-7-12-10(13-5)9(8)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-7-9(10(2,3)4)8(11)5-6-12-7;1-7-5-6-12-9(11)8(7)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-5-6(8(2,3)4)7(9)11-10-5/h7H,1-6H3;6H,1-5H3;6H,1-5H3;5-7H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;3*4-7H,1-3H3;1-4H3,(H,10,11)
• InChIKey: KZEWXPHVJYEGSQ-UHFFFAOYSA-N
• XLogP: 42.44
• TPSA: 133.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2298.23
LogP ≤ 5	42.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene?

The IUPAC name of 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene (CID 163730571) is 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene.

What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene?

The canonical SMILES for 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene is CC(C)(C)c1c(F)cccc1Cl.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1ncc(C)c(C(C)(C)C)c1C.COc1ncc(C)c(C(C)(C)C)c1Cl.COc1nccc(C)c1C(C)(C)C.Cc1[nH]nc(Cl)c1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)c(Cl)n1.Cc1ccc(F)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccnc(Cl)c1C(C)(C)C.Cc1nccc(Cl)c1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene?

The InChIKey is KZEWXPHVJYEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C11H16ClNO.C11H16ClN.C11H15F.C11H17NO.C11H16.C10H12ClF.2C10H14ClN.C10H13Cl.2C10H13F.C8H13ClN2/c1-8-7-13-11(14-6)9(2)10(8)12(3,4)5;1-7-6-13-10(14-5)9(12)8(7)11(2,3)4;1-7-6-8(2)13-10(12)9(7)11(3,4)5;1-8-5-6-10(12)9(7-8)11(2,3)4;1-8-6-7-12-10(13-5)9(8)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-7-9(10(2,3)4)8(11)5-6-12-7;1-7-5-6-12-9(11)8(7)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-5-6(8(2,3)4)7(9)11-10-5/h7H,1-6H3;6H,1-5H3;6H,1-5H3;5-7H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;3*4-7H,1-3H3;1-4H3,(H,10,11).

What are the key properties of 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene?

1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene has a molecular weight of 2298.23 g/mol, XLogP of 42.44, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloro-4,6-dimethylpyridine;2-tert-butyl-1-chloro-3-fluorobenzene;4-tert-butyl-3-chloro-2-methoxy-5-methylpyridine;4-tert-butyl-3-chloro-5-methyl-1H-pyrazole;3-tert-butyl-2-chloro-4-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-methoxy-3,5-dimethylpyridine;3-tert-butyl-2-methoxy-4-methylpyridine;1-tert-butyl-2-methylbenzene is sourced from PubChem (CID 163730571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).