4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine

C121H178Cl3FN12O8 — CID 158145755

About 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine

4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine (PubChem CID 158145755) has the molecular formula C121H178Cl3FN12O8 and a molecular weight of 2054.19 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine
• PubChem CID: 158145755
• Molecular Formula: C121H178Cl3FN12O8
• Molecular Weight: 2054.19 g/mol
• Exact Mass: 2051.29
• IUPAC Name: 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine
• SMILES: CC(C)(C)c1ccnc(F)c1.CCc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nc1OC.COc1cccc(C(C)(C)C)n1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1nc(C(C)(C)C)ccc1Cl.COc1nccc(C(C)(C)C)c1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cncc(Cl)c1C(C)(C)C
• InChI: InChI=1S/C11H17NO2.C11H17N.2C10H14ClNO.C10H14ClN.4C10H15NO.2C10H15N.C9H12FN/c1-11(2,3)9-7-6-8(13-4)10(12-9)14-5;1-5-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)7-5-6-12-9(13-4)8(7)11;1-10(2,3)8-6-5-7(11)9(12-8)13-4;1-7-5-12-6-8(11)9(7)10(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7/h6-7H,1-5H3;6-8H,5H2,1-4H3;2*5-6H,1-4H3;5-6H,1-4H3;4*5-7H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3
• InChIKey: FUMNAOONFZWAAW-UHFFFAOYSA-N
• XLogP: 32.20
• TPSA: 228.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.19
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine?

The IUPAC name of 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine (CID 158145755) is 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine.

What is the SMILES notation for 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine?

The canonical SMILES for 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine is CC(C)(C)c1ccnc(F)c1.CCc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nc1OC.COc1cccc(C(C)(C)C)n1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1nc(C(C)(C)C)ccc1Cl.COc1nccc(C(C)(C)C)c1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cncc(Cl)c1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine?

The InChIKey is FUMNAOONFZWAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C11H17N.2C10H14ClNO.C10H14ClN.4C10H15NO.2C10H15N.C9H12FN/c1-11(2,3)9-7-6-8(13-4)10(12-9)14-5;1-5-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)7-5-6-12-9(13-4)8(7)11;1-10(2,3)8-6-5-7(11)9(12-8)13-4;1-7-5-12-6-8(11)9(7)10(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7/h6-7H,1-5H3;6-8H,5H2,1-4H3;2*5-6H,1-4H3;5-6H,1-4H3;4*5-7H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3.

What are the key properties of 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine?

4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine has a molecular weight of 2054.19 g/mol, XLogP of 32.20, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-3-chloro-2-methoxypyridine;4-tert-butyl-3-chloro-5-methylpyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine is sourced from PubChem (CID 158145755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).