2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine

C24H15F9N4 — CID 177002668

IUPAC2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H6F6N2.C12H9F3N2/c13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;1-8-4-2-5-9(16-8)10-6-3-7-11(17-10)12(13,14)15/h1-6H;2-7H,1H3
InChIKeyPPPDZGPPYQFBIV-UHFFFAOYSA-N
MW530.39 g/mol
LogP7.65
Rot. Bonds2

About 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine

2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 177002668) has the molecular formula C24H15F9N4 and a molecular weight of 530.39 g/mol. Its IUPAC name is 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID177002668
Molecular FormulaC24H15F9N4
Molecular Weight530.39 g/mol
Exact Mass530.12
IUPAC Name2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H6F6N2.C12H9F3N2/c13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;1-8-4-2-5-9(16-8)10-6-3-7-11(17-10)12(13,14)15/h1-6H;2-7H,1H3
InChIKeyPPPDZGPPYQFBIV-UHFFFAOYSA-N
XLogP7.65
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.39
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6'-Bi-2-picoline
CID 20445
1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine
CID 89858579
2,2':6',2'':6'',2'''-Quaterpyridine
CID 10876425
6,6''-Dimethyl-2,2':6',2''-terpyridine
CID 11257813
6-Trifluoromethylpyridine dimer
CID 626071
Sexipyridine
CID 13062899
6,6'-Difluoro-2,2'-bipyridine
CID 21583138
bis(2,2'-bipyridine)iron(II)
CID 152110
1-(6-fluoro-2-pyridinyl)-N,N-bis[(6-fluoro-2-pyridinyl)methyl]methanamine
CID 12107944
Copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
CID 139200509
[2.1.1]-(2,6)-Pyridinophane
CID 11205659
2,6-Bis(6-methyl-2-pyridylmethyl)pyridine
CID 11335240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine (CID 177002668) is 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is PPPDZGPPYQFBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2.C12H9F3N2/c13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;1-8-4-2-5-9(16-8)10-6-3-7-11(17-10)12(13,14)15/h1-6H;2-7H,1H3.
What are the key properties of 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine?
2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 530.39 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 177002668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).