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

C75H101F3N6O — CID 158630411

IUPAC3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C15H17N.C12H19N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;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)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h6-11H,1-5H3;4-11H,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyHZCVJLMJFAWXHB-UHFFFAOYSA-N
MW1159.67 g/mol
LogP21.36
Rot. Bonds5

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

3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 158630411) has the molecular formula C75H101F3N6O and a molecular weight of 1159.67 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID158630411
Molecular FormulaC75H101F3N6O
Molecular Weight1159.67 g/mol
Exact Mass1158.80
IUPAC Name3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C15H17N.C12H19N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;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)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h6-11H,1-5H3;4-11H,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyHZCVJLMJFAWXHB-UHFFFAOYSA-N
XLogP21.36
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.67
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
2-Fluoro-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyridine
CID 118073511
2-Methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyridine
CID 118073516
8-Methyl-1'-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(2-methyl-4-pyridinyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 177849414
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-methoxy-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908932
2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine
CID 168308207
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (CID 158630411) is 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(C)(C)C)cn1.CCc1cccc(C(C)(C)C)n1.Cc1cccc(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;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is HZCVJLMJFAWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C15H17N.C12H19N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;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)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h6-11H,1-5H3;4-11H,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3.
What are the key properties of 3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 1159.67 g/mol, XLogP of 21.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).