3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

C112H164F6N10O4 — CID 167537611

About 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (PubChem CID 167537611) has the molecular formula C112H164F6N10O4 and a molecular weight of 1828.60 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
• PubChem CID: 167537611
• Molecular Formula: C112H164F6N10O4
• Molecular Weight: 1828.60 g/mol
• Exact Mass: 1827.28
• IUPAC Name: 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
• SMILES: C#Cc1cncc(CC(C)(C)C)c1.CC(C)(C)Cc1cncc(C(F)F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)Oc1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
• InChI: InChI=1S/C12H18FNO.C12H15N.C11H14F3N.C11H15F2N.3C11H17NO.3C11H17N/c1-9(13)15-11-5-10(7-14-8-11)6-12(2,3)4;1-5-10-6-11(9-13-8-10)7-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)5-8-4-9(10(12)13)7-14-6-8;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;1-9-5-10(8-12-7-9)6-11(2,3)4;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/h5,7-9H,6H2,1-4H3;1,6,8-9H,7H2,2-4H3;4-5,7H,6H2,1-3H3;4,6-7,10H,5H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3
• InChIKey: ATEHISSMPWKGSN-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 165.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.60
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The IUPAC name of 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (CID 167537611) is 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The canonical SMILES for 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is C#Cc1cncc(CC(C)(C)C)c1.CC(C)(C)Cc1cncc(C(F)F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)Oc1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C.

What is the InChIKey of 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

The InChIKey is ATEHISSMPWKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO.C12H15N.C11H14F3N.C11H15F2N.3C11H17NO.3C11H17N/c1-9(13)15-11-5-10(7-14-8-11)6-12(2,3)4;1-5-10-6-11(9-13-8-10)7-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)5-8-4-9(10(12)13)7-14-6-8;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;1-9-5-10(8-12-7-9)6-11(2,3)4;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/h5,7-9H,6H2,1-4H3;1,6,8-9H,7H2,2-4H3;4-5,7H,6H2,1-3H3;4,6-7,10H,5H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3.

What are the key properties of 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?

3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine has a molecular weight of 1828.60 g/mol, XLogP of 30.29, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;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)-5-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 167537611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).