2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate

C66H96ClF4N7O2 — CID 159545834

About 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate

2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate (PubChem CID 159545834) has the molecular formula C66H96ClF4N7O2 and a molecular weight of 1130.99 g/mol. Its IUPAC name is 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate
• PubChem CID: 159545834
• Molecular Formula: C66H96ClF4N7O2
• Molecular Weight: 1130.99 g/mol
• Exact Mass: 1129.73
• IUPAC Name: 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate
• SMILES: CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(N)nc1.CC(C)(C)Cc1cncc(F)c1.COC(=O)c1ccc(CC(C)(C)C)cn1.Cc1cc(C)c(CC(C)(C)C)c(C)n1
• InChI: InChI=1S/C13H21N.C12H17NO2.C11H14F3N.C10H14ClN.C10H14FN.C10H16N2/c1-9-7-10(2)14-11(3)12(9)8-13(4,5)6;1-12(2,3)7-9-5-6-10(13-8-9)11(14)15-4;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-9(11)12-7-8/h7H,8H2,1-6H3;5-6,8H,7H2,1-4H3;4-5,7H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3,(H2,11,12)
• InChIKey: MEUCAFCSSBIBJH-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 129.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.99
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate?

The IUPAC name of 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate (CID 159545834) is 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate.

What is the SMILES notation for 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate?

The canonical SMILES for 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate is CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(N)nc1.CC(C)(C)Cc1cncc(F)c1.COC(=O)c1ccc(CC(C)(C)C)cn1.Cc1cc(C)c(CC(C)(C)C)c(C)n1.

What is the InChIKey of 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate?

The InChIKey is MEUCAFCSSBIBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C12H17NO2.C11H14F3N.C10H14ClN.C10H14FN.C10H16N2/c1-9-7-10(2)14-11(3)12(9)8-13(4,5)6;1-12(2,3)7-9-5-6-10(13-8-9)11(14)15-4;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-9(11)12-7-8/h7H,8H2,1-6H3;5-6,8H,7H2,1-4H3;4-5,7H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3,(H2,11,12).

What are the key properties of 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate?

2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate has a molecular weight of 1130.99 g/mol, XLogP of 18.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)pyridin-2-amine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-2,4,6-trimethylpyridine;methyl 5-(2,2-dimethylpropyl)pyridine-2-carboxylate is sourced from PubChem (CID 159545834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).