3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

C107H146Br2Cl2F7N11O — CID 160588671

About 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 160588671) has the molecular formula C107H146Br2Cl2F7N11O and a molecular weight of 1966.12 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
• PubChem CID: 160588671
• Molecular Formula: C107H146Br2Cl2F7N11O
• Molecular Weight: 1966.12 g/mol
• Exact Mass: 1961.93
• IUPAC Name: 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
• SMILES: C.C.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Cl)c1F.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C#N)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)c1cccc(C(F)(F)F)n1.COc1cccc(C(C)C)c1F.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ncc(C(C)C)nc1Br
• InChI: InChI=1S/C12H17N.C10H12ClF.C10H14FN.C10H13FO.C10H12N2.C9H12BrN.C9H12ClN.C9H10F3N.C9H12FN.C9H13N.C8H11BrN2.2CH4/c1-12(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;1-7-5-6-8(11)9(12-7)10(2,3)4;1-7(2)8-5-4-6-9(12-3)10(8)11;1-10(2,3)9-4-8(5-11)6-12-7-9;2*1-9(2,3)7-4-8(10)6-11-5-7;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-9(2,3)7-5-4-6-8(10)11-7;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-10-6(3)8(9)11-7;;/h4-6,9H,7-8H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4,6-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;2*1H4
• InChIKey: RCSMFGZBPHAOQF-UHFFFAOYSA-N
• XLogP: 33.44
• TPSA: 161.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.12
LogP ≤ 5	33.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?

The IUPAC name of 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 160588671) is 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?

The canonical SMILES for 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is C.C.CC(C)(C)c1cccc(C2CC2)n1.CC(C)(C)c1cccc(Cl)c1F.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C#N)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)c1cccc(C(F)(F)F)n1.COc1cccc(C(C)C)c1F.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ncc(C(C)C)nc1Br.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?

The InChIKey is RCSMFGZBPHAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H12ClF.C10H14FN.C10H13FO.C10H12N2.C9H12BrN.C9H12ClN.C9H10F3N.C9H12FN.C9H13N.C8H11BrN2.2CH4/c1-12(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;1-7-5-6-8(11)9(12-7)10(2,3)4;1-7(2)8-5-4-6-9(12-3)10(8)11;1-10(2,3)9-4-8(5-11)6-12-7-9;2*1-9(2,3)7-4-8(10)6-11-5-7;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-9(2,3)7-5-4-6-8(10)11-7;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-10-6(3)8(9)11-7;;/h4-6,9H,7-8H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4,6-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;2*1H4.

What are the key properties of 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?

3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 1966.12 g/mol, XLogP of 33.44, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 160588671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).