2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine

C12H6F6N2 — CID 23443905

IUPAC2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C12H6F6N2/c13-11(14,15)7-4-6-20-10(9(7)12(16,17)18)8-3-1-2-5-19-8/h1-6H
InChIKeyCLPLGLPEBBOFDJ-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.18
Rot. Bonds1

About 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine

2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine (PubChem CID 23443905) has the molecular formula C12H6F6N2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
PubChem CID23443905
Molecular FormulaC12H6F6N2
Molecular Weight292.18 g/mol
Exact Mass292.04
IUPAC Name2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C12H6F6N2/c13-11(14,15)7-4-6-20-10(9(7)12(16,17)18)8-3-1-2-5-19-8/h1-6H
InChIKeyCLPLGLPEBBOFDJ-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine (CID 23443905) is 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine?
The InChIKey is CLPLGLPEBBOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2/c13-11(14,15)7-4-6-20-10(9(7)12(16,17)18)8-3-1-2-5-19-8/h1-6H.
What are the key properties of 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine?
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine has a molecular weight of 292.18 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 23443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).