2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine

C37H52Cl2N4O — CID 159743765

About 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine

2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 159743765) has the molecular formula C37H52Cl2N4O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
• PubChem CID: 159743765
• Molecular Formula: C37H52Cl2N4O
• Molecular Weight: 639.76 g/mol
• Exact Mass: 638.35
• IUPAC Name: 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
• SMILES: CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cnc(Cl)cc1Cl.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C
• InChI: InChI=1S/C11H17NO.2C9H13N.C8H9Cl2N/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)6-4-11-8(10)3-7(6)9/h5-9H,1-4H3;2*4-7H,1-3H3;3-5H,1-2H3
• InChIKey: NCUFIPXDJCKRQP-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 60.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?

The IUPAC name of 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 159743765) is 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine.

What is the SMILES notation for 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?

The canonical SMILES for 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine is CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cnc(Cl)cc1Cl.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.

What is the InChIKey of 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?

The InChIKey is NCUFIPXDJCKRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.2C9H13N.C8H9Cl2N/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)6-4-11-8(10)3-7(6)9/h5-9H,1-4H3;2*4-7H,1-3H3;3-5H,1-2H3.

What are the key properties of 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?

2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 639.76 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 159743765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).