2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine

C76H112BrCl5N8S3 — CID 159529358

About 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine

2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine (PubChem CID 159529358) has the molecular formula C76H112BrCl5N8S3 and a molecular weight of 1491.16 g/mol. Its IUPAC name is 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine
• PubChem CID: 159529358
• Molecular Formula: C76H112BrCl5N8S3
• Molecular Weight: 1491.16 g/mol
• Exact Mass: 1486.58
• IUPAC Name: 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine
• SMILES: CC(C)(C)Cc1ccc(Br)nc1.CC(C)(C)Cc1ccc(Cl)cn1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1csc(Cl)n1.CC(C)(C)Cc1sc(Cl)nc1Cl.Cc1ccc(CC(C)(C)C)cn1.Cc1nc(Cl)sc1CC(C)(C)C
• InChI: InChI=1S/C11H17N.C10H14BrN.C10H14ClN.2C10H15N.C9H14ClNS.C8H11Cl2NS.C8H12ClNS/c1-9-5-6-10(8-12-9)7-11(2,3)4;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)6-9-5-4-8(11)7-12-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-6-7(5-9(2,3)4)12-8(10)11-6;1-8(2,3)4-5-6(9)11-7(10)12-5;1-8(2,3)4-6-5-11-7(9)10-6/h5-6,8H,7H2,1-4H3;2*4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5H,4H2,1-3H3
• InChIKey: MCUGRRBBWCARDJ-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 103.12 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.16
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine (CID 159529358) is 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1ccc(Br)nc1.CC(C)(C)Cc1ccc(Cl)cn1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1csc(Cl)n1.CC(C)(C)Cc1sc(Cl)nc1Cl.Cc1ccc(CC(C)(C)C)cn1.Cc1nc(Cl)sc1CC(C)(C)C.

What is the InChIKey of 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The InChIKey is MCUGRRBBWCARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H14BrN.C10H14ClN.2C10H15N.C9H14ClNS.C8H11Cl2NS.C8H12ClNS/c1-9-5-6-10(8-12-9)7-11(2,3)4;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)6-9-5-4-8(11)7-12-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-6-7(5-9(2,3)4)12-8(10)11-6;1-8(2,3)4-5-6(9)11-7(10)12-5;1-8(2,3)4-6-5-11-7(9)10-6/h5-6,8H,7H2,1-4H3;2*4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5H,4H2,1-3H3.

What are the key properties of 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 1491.16 g/mol, XLogP of 26.19, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole;5-chloro-2-(2,2-dimethylpropyl)pyridine;2-chloro-4-(2,2-dimethylpropyl)-1,3-thiazole;2,4-dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 159529358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).