2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane

C85H149Cl2N15O3 — CID 158683578

About 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane

2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane (PubChem CID 158683578) has the molecular formula C85H149Cl2N15O3 and a molecular weight of 1500.13 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane
• PubChem CID: 158683578
• Molecular Formula: C85H149Cl2N15O3
• Molecular Weight: 1500.13 g/mol
• Exact Mass: 1498.13
• IUPAC Name: 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccnn1.COc1ccc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(Cl)nc1
• InChI: InChI=1S/C10H15NO.C9H12ClN.2C9H14N2O.C9H13N.2C8H12N2.C7H11N3.C6H6ClN.10CH4/c1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-11-8(12-4)6-10-7;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-7(2,3)6-8-4-5-9-10-6;1-5-2-3-6(7)8-4-5;;;;;;;;;;/h5-7H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;10*1H4
• InChIKey: IFLFVBBHKLPIPE-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 221.04 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 3
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.13
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane?

The IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane (CID 158683578) is 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane.

What is the SMILES notation for 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane?

The canonical SMILES for 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane is C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccnn1.COc1ccc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(Cl)nc1.

What is the InChIKey of 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane?

The InChIKey is IFLFVBBHKLPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H12ClN.2C9H14N2O.C9H13N.2C8H12N2.C7H11N3.C6H6ClN.10CH4/c1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-11-8(12-4)6-10-7;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-7(2,3)6-8-4-5-9-10-6;1-5-2-3-6(7)8-4-5;;;;;;;;;;/h5-7H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;10*1H4.

What are the key properties of 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane?

2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane has a molecular weight of 1500.13 g/mol, XLogP of 24.49, 3 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-chloropyridine;2-tert-butyl-5-methoxypyrazine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2-chloro-5-methylpyridine;methane is sourced from PubChem (CID 158683578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).