6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C74H111ClF4N10O2 — CID 167607347

IUPAC6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C)c(C(C)(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)(C)C)ccc1F.Cc1noc(C(C)(C)C)n1.Cn1ccc(C(C)(C)C)n1.[2H]C([2H])([2H])c1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H17N.C10H14ClN.C10H12F3N.C10H14FN.C10H15N.C8H14N2.C8H13NO.C7H12N2O/c1-8-6-7-9(2)12-10(8)11(3,4)5;1-7-8(11)5-6-9(12-7)10(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-8(11)5-6-9(12-7)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-10-7(9-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h6-7H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3/i;;;;1D3;;;
InChIKeyKOGMELIARWOUIZ-VRDZSHGBSA-N
MW1287.23 g/mol
LogP20.92
Rot. Bonds1

About 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 167607347) has the molecular formula C74H111ClF4N10O2 and a molecular weight of 1287.23 g/mol. Its IUPAC name is 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID167607347
Molecular FormulaC74H111ClF4N10O2
Molecular Weight1287.23 g/mol
Exact Mass1285.87
IUPAC Name6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C)c(C(C)(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)(C)C)ccc1F.Cc1noc(C(C)(C)C)n1.Cn1ccc(C(C)(C)C)n1.[2H]C([2H])([2H])c1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H17N.C10H14ClN.C10H12F3N.C10H14FN.C10H15N.C8H14N2.C8H13NO.C7H12N2O/c1-8-6-7-9(2)12-10(8)11(3,4)5;1-7-8(11)5-6-9(12-7)10(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-8(11)5-6-9(12-7)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-10-7(9-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h6-7H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3/i;;;;1D3;;;
InChIKeyKOGMELIARWOUIZ-VRDZSHGBSA-N
XLogP20.92
TPSA147.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.23
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158499348
6-Tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 159674547
Cumene;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159754587

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 167607347) is 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C)c(C(C)(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)(C)C)ccc1F.Cc1noc(C(C)(C)C)n1.Cn1ccc(C(C)(C)C)n1.[2H]C([2H])([2H])c1cccc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is KOGMELIARWOUIZ-VRDZSHGBSA-N. The full InChI is InChI=1S/C11H17N.C10H14ClN.C10H12F3N.C10H14FN.C10H15N.C8H14N2.C8H13NO.C7H12N2O/c1-8-6-7-9(2)12-10(8)11(3,4)5;1-7-8(11)5-6-9(12-7)10(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-8(11)5-6-9(12-7)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-10-7(9-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h6-7H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3/i;;;;1D3;;;.
What are the key properties of 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 1287.23 g/mol, XLogP of 20.92, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-chloro-2-methylpyridine;2-tert-butyl-3,6-dimethylpyridine;6-tert-butyl-3-fluoro-2-methylpyridine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-(trideuteriomethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 167607347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).