3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine

C55H74ClF6N7O2 — CID 159434264

About 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine

3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine (PubChem CID 159434264) has the molecular formula C55H74ClF6N7O2 and a molecular weight of 1014.68 g/mol. Its IUPAC name is 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
• PubChem CID: 159434264
• Molecular Formula: C55H74ClF6N7O2
• Molecular Weight: 1014.68 g/mol
• Exact Mass: 1013.55
• IUPAC Name: 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
• SMILES: CC(C)N(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CCc1cc(C(C)C)ccn1.COCCOc1cc(C(F)(F)F)cnc1C.Cc1ccc(C(C)C)cn1
• InChI: InChI=1S/C10H12F3NO2.C10H15N.C9H9ClF3N.C9H14N2.C9H13N.C8H11N/c1-7-9(16-4-3-15-2)5-8(6-14-7)10(11,12)13;1-4-10-7-9(8(2)3)5-6-11-10;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-8(2)11(3)9-5-4-6-10-7-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8/h5-6H,3-4H2,1-2H3;5-8H,4H2,1-3H3;3-5H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3
• InChIKey: LRJIGORGYHCKMW-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 99.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.68
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine?

The IUPAC name of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine (CID 159434264) is 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine.

What is the SMILES notation for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine?

The canonical SMILES for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine is CC(C)N(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CCc1cc(C(C)C)ccn1.COCCOc1cc(C(F)(F)F)cnc1C.Cc1ccc(C(C)C)cn1.

What is the InChIKey of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine?

The InChIKey is LRJIGORGYHCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2.C10H15N.C9H9ClF3N.C9H14N2.C9H13N.C8H11N/c1-7-9(16-4-3-15-2)5-8(6-14-7)10(11,12)13;1-4-10-7-9(8(2)3)5-6-11-10;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-8(2)11(3)9-5-4-6-10-7-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8/h5-6H,3-4H2,1-2H3;5-8H,4H2,1-3H3;3-5H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3.

What are the key properties of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine?

3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine has a molecular weight of 1014.68 g/mol, XLogP of 15.72, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-ethyl-4-propan-2-ylpyridine;3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)pyridine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 159434264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).