2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole

C54H82Cl2FN7S3 — CID 159998121

About 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole

2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 159998121) has the molecular formula C54H82Cl2FN7S3 and a molecular weight of 1015.40 g/mol. Its IUPAC name is 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
• PubChem CID: 159998121
• Molecular Formula: C54H82Cl2FN7S3
• Molecular Weight: 1015.40 g/mol
• Exact Mass: 1013.52
• IUPAC Name: 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
• SMILES: CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cnc(Cl)s1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cncs1.Cc1ncc(CC(C)(C)C)s1
• InChI: InChI=1S/C10H14ClN.C10H14FN.C9H14N2.C9H15NS.C8H12ClNS.C8H13NS/c2*1-10(2,3)6-8-4-5-9(11)12-7-8;1-9(2,3)4-8-5-10-7-11-6-8;1-7-10-6-8(11-7)5-9(2,3)4;1-8(2,3)4-6-5-10-7(9)11-6;1-8(2,3)4-7-5-9-6-10-7/h2*4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;6H,5H2,1-4H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3
• InChIKey: OHUPEEBHBUNBMJ-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 90.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.40
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
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 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The IUPAC name of 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole (CID 159998121) is 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole.

What is the SMILES notation for 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The canonical SMILES for 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cnc(Cl)s1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cncs1.Cc1ncc(CC(C)(C)C)s1.

What is the InChIKey of 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The InChIKey is OHUPEEBHBUNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.C10H14FN.C9H14N2.C9H15NS.C8H12ClNS.C8H13NS/c2*1-10(2,3)6-8-4-5-9(11)12-7-8;1-9(2,3)4-8-5-10-7-11-6-8;1-7-10-6-8(11-7)5-9(2,3)4;1-8(2,3)4-6-5-10-7(9)11-6;1-8(2,3)4-7-5-9-6-10-7/h2*4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;6H,5H2,1-4H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3.

What are the key properties of 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 1015.40 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 159998121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).