2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C20H27F3N2 — CID 153396888

IUPAC2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C10H12F3N.C10H15N/c1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4/h4-6H,1-3H3;5-7H,1-4H3
InChIKeyAANJSGRJQWDVRM-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.09
Rot. Bonds

About 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 153396888) has the molecular formula C20H27F3N2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID153396888
Molecular FormulaC20H27F3N2
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C10H12F3N.C10H15N/c1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4/h4-6H,1-3H3;5-7H,1-4H3
InChIKeyAANJSGRJQWDVRM-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
CID 23123821
(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
2,2-difluoro-2-(4-methyl-2-pyridinyl)ethanamine
CID 130018780
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
CID 10682283
trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
CID 124637255
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
1-(2-tert-butyl-4-pyridinyl)-1,1-difluoro-2-methylpropan-2-ol
CID 170146654
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
CID 163260233

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 153396888) is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is AANJSGRJQWDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C10H15N/c1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4/h4-6H,1-3H3;5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 352.44 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 153396888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).