2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C75H93Br2Cl3F6IN9 — CID 162156856

About 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 162156856) has the molecular formula C75H93Br2Cl3F6IN9 and a molecular weight of 1627.69 g/mol. Its IUPAC name is 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 162156856
• Molecular Formula: C75H93Br2Cl3F6IN9
• Molecular Weight: 1627.69 g/mol
• Exact Mass: 1623.39
• IUPAC Name: 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)c1ccc(Br)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnc1Cl.CC(C)c1cnccc1Cl.CC(C)c1ncccc1Br.CC(C)c1ncccc1I.Cc1cccc(C(C)C)n1
• InChI: InChI=1S/2C9H10F3N.C9H13N.2C8H10BrN.3C8H10ClN.C8H10IN/c1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-7(9)4-3-5-10-8/h2*3-6H,1-2H3;4-7H,1-3H3;6*3-6H,1-2H3
• InChIKey: ZLYCMRQQDSMHPK-UHFFFAOYSA-N
• XLogP: 26.28
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1627.69
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 162156856) is 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(Br)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnc1Cl.CC(C)c1cnccc1Cl.CC(C)c1ncccc1Br.CC(C)c1ncccc1I.Cc1cccc(C(C)C)n1.

What is the InChIKey of 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is ZLYCMRQQDSMHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10F3N.C9H13N.2C8H10BrN.3C8H10ClN.C8H10IN/c1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-7(9)4-3-5-10-8/h2*3-6H,1-2H3;4-7H,1-3H3;6*3-6H,1-2H3.

What are the key properties of 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?

2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1627.69 g/mol, XLogP of 26.28, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-propan-2-ylpyridine;3-bromo-2-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-iodo-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 162156856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).