2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine

C81H101Cl3F9N5O6 — CID 167701132

About 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine

2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine (PubChem CID 167701132) has the molecular formula C81H101Cl3F9N5O6 and a molecular weight of 1518.07 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine
• PubChem CID: 167701132
• Molecular Formula: C81H101Cl3F9N5O6
• Molecular Weight: 1518.07 g/mol
• Exact Mass: 1515.67
• IUPAC Name: 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine
• SMILES: Cc1cc(C)nc(C)c1.Cc1cc(Cl)c(C)c(CC2CCCOC2)c1.Cc1cc(Cl)cc(OC2CCN(C)C2)c1.Cc1cc(Cl)cc(OCC2CCN(C)C2)c1.Cc1cc(F)cc(OC(F)(F)F)c1.Cc1cc(OC(F)(F)F)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)c(OC(F)F)c1
• InChI: InChI=1S/C14H19ClO.C13H18ClNO.C12H16ClNO.C10H15N.C9H10F2O.C8H6F4O.C8H11N.C7H6F3NO/c1-10-6-13(11(2)14(15)7-10)8-12-4-3-5-16-9-12;1-10-5-12(14)7-13(6-10)16-9-11-3-4-15(2)8-11;1-9-5-10(13)7-12(6-9)15-11-3-4-14(2)8-11;1-8-5-6-9(11-7-8)10(2,3)4;1-6-3-4-7(2)8(5-6)12-9(10)11;1-5-2-6(9)4-7(3-5)13-8(10,11)12;1-6-4-7(2)9-8(3)5-6;1-5-4-6(2-3-11-5)12-7(8,9)10/h6-7,12H,3-5,8-9H2,1-2H3;5-7,11H,3-4,8-9H2,1-2H3;5-7,11H,3-4,8H2,1-2H3;5-7H,1-4H3;3-5,9H,1-2H3;2-4H,1H3;4-5H,1-3H3;2-4H,1H3
• InChIKey: YKDLALVAZXMJPQ-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 100.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.07
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine?

The IUPAC name of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine (CID 167701132) is 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine.

What is the SMILES notation for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine?

The canonical SMILES for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine is Cc1cc(C)nc(C)c1.Cc1cc(Cl)c(C)c(CC2CCCOC2)c1.Cc1cc(Cl)cc(OC2CCN(C)C2)c1.Cc1cc(Cl)cc(OCC2CCN(C)C2)c1.Cc1cc(F)cc(OC(F)(F)F)c1.Cc1cc(OC(F)(F)F)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)c(OC(F)F)c1.

What is the InChIKey of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine?

The InChIKey is YKDLALVAZXMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO.C13H18ClNO.C12H16ClNO.C10H15N.C9H10F2O.C8H6F4O.C8H11N.C7H6F3NO/c1-10-6-13(11(2)14(15)7-10)8-12-4-3-5-16-9-12;1-10-5-12(14)7-13(6-10)16-9-11-3-4-15(2)8-11;1-9-5-10(13)7-12(6-9)15-11-3-4-14(2)8-11;1-8-5-6-9(11-7-8)10(2,3)4;1-6-3-4-7(2)8(5-6)12-9(10)11;1-5-2-6(9)4-7(3-5)13-8(10,11)12;1-6-4-7(2)9-8(3)5-6;1-5-4-6(2-3-11-5)12-7(8,9)10/h6-7,12H,3-5,8-9H2,1-2H3;5-7,11H,3-4,8-9H2,1-2H3;5-7,11H,3-4,8H2,1-2H3;5-7H,1-4H3;3-5,9H,1-2H3;2-4H,1H3;4-5H,1-3H3;2-4H,1H3.

What are the key properties of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine?

2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine has a molecular weight of 1518.07 g/mol, XLogP of 22.56, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine is sourced from PubChem (CID 167701132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).