2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine

C13H5F9N2 — CID 134847379

IUPAC2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H5F9N2/c14-11(15,16)7-1-2-8(23-5-7)6-3-9(12(17,18)19)24-10(4-6)13(20,21)22/h1-5H
InChIKeyIPPALLNCMDTQCQ-UHFFFAOYSA-N
MW360.18 g/mol
LogP5.20
Rot. Bonds1

About 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine

2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 134847379) has the molecular formula C13H5F9N2 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID134847379
Molecular FormulaC13H5F9N2
Molecular Weight360.18 g/mol
Exact Mass360.03
IUPAC Name2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H5F9N2/c14-11(15,16)7-1-2-8(23-5-7)6-3-9(12(17,18)19)24-10(4-6)13(20,21)22/h1-5H
InChIKeyIPPALLNCMDTQCQ-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.18
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine (CID 134847379) is 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)nc1.
What is the InChIKey of 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is IPPALLNCMDTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F9N2/c14-11(15,16)7-1-2-8(23-5-7)6-3-9(12(17,18)19)24-10(4-6)13(20,21)22/h1-5H.
What are the key properties of 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 360.18 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 134847379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).