5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

C88H124Cl3F4N9O4 — CID 158295257

About 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 158295257) has the molecular formula C88H124Cl3F4N9O4 and a molecular weight of 1554.37 g/mol. Its IUPAC name is 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
• PubChem CID: 158295257
• Molecular Formula: C88H124Cl3F4N9O4
• Molecular Weight: 1554.37 g/mol
• Exact Mass: 1551.88
• IUPAC Name: 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cc(Cl)cnc1Cl.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cn1.COc1ccc(C(C)(C)C)c(OC)n1.COc1ccc(C(C)(C)C)cn1.COc1ncccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1
• InChI: InChI=1S/C11H17NO2.C10H12F3N.2C10H15NO.2C10H15N.C9H11Cl2N.C9H12ClN.C9H12FN/c1-11(2,3)8-6-7-9(13-4)12-10(8)14-5;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)7-4-6(10)5-12-8(7)11;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-5-4-7(10)6-11-8/h6-7H,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3
• InChIKey: GLVIMVHIGQSNEX-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 152.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.37
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The IUPAC name of 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 158295257) is 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1cc(Cl)cnc1Cl.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cn1.COc1ccc(C(C)(C)C)c(OC)n1.COc1ccc(C(C)(C)C)cn1.COc1ncccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.

What is the InChIKey of 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The InChIKey is GLVIMVHIGQSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C10H12F3N.2C10H15NO.2C10H15N.C9H11Cl2N.C9H12ClN.C9H12FN/c1-11(2,3)8-6-7-9(13-4)12-10(8)14-5;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)7-4-6(10)5-12-8(7)11;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-5-4-7(10)6-11-8/h6-7H,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3.

What are the key properties of 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?

5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 1554.37 g/mol, XLogP of 25.18, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158295257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).