3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C50H69F3N4O — CID 157133325

IUPAC3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C12H19N.C11H17N.C10H12F3N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-5-9-7-6-8-10(12-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h6-11H,1-5H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3
InChIKeyAJIDMJRZXHYLMF-UHFFFAOYSA-N
MW799.12 g/mol
LogP14.63
Rot. Bonds4

About 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 157133325) has the molecular formula C50H69F3N4O and a molecular weight of 799.12 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID157133325
Molecular FormulaC50H69F3N4O
Molecular Weight799.12 g/mol
Exact Mass798.54
IUPAC Name3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C12H19N.C11H17N.C10H12F3N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-5-9-7-6-8-10(12-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h6-11H,1-5H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3
InChIKeyAJIDMJRZXHYLMF-UHFFFAOYSA-N
XLogP14.63
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.12
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 161391924
5-(1,1-difluoroethyl)-2-propan-2-ylpyridine
CID 122532891
5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine
CID 159952888
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439
4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 118497799
5-tert-butyl-2-(1-ethoxyethyl)pyridine
CID 90308346
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 59128933

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 157133325) is 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C.
What is the InChIKey of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is AJIDMJRZXHYLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C12H19N.C11H17N.C10H12F3N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-5-9-7-6-8-10(12-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h6-11H,1-5H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3.
What are the key properties of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 799.12 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 157133325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).