2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

C217H327F6N19O4 — CID 159610470

About 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (PubChem CID 159610470) has the molecular formula C217H327F6N19O4 and a molecular weight of 3380.12 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
• PubChem CID: 159610470
• Molecular Formula: C217H327F6N19O4
• Molecular Weight: 3380.12 g/mol
• Exact Mass: 3377.59
• IUPAC Name: 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
• InChI: InChI=1S/C12H18FN.C11H14F3N.4C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;3*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;4*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3
• InChIKey: MMPYWJDQMRUAKT-UHFFFAOYSA-N
• XLogP: 59.15
• TPSA: 281.83 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.12
LogP ≤ 5	59.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (CID 159610470) is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.

What is the SMILES notation for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The canonical SMILES for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C.

What is the InChIKey of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The InChIKey is MMPYWJDQMRUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN.C11H14F3N.4C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;3*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;4*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3.

What are the key properties of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine has a molecular weight of 3380.12 g/mol, XLogP of 59.15, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159610470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).