2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine

C12H8F3N5 — CID 170460067

IUPAC2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-7-10(19-5-1-3-16-19)18-11(8-9)20-6-2-4-17-20/h1-8H
InChIKeyOTKGJMQKDRIPAF-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.47
Rot. Bonds2

About 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine

2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 170460067) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID170460067
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-7-10(19-5-1-3-16-19)18-11(8-9)20-6-2-4-17-20/h1-8H
InChIKeyOTKGJMQKDRIPAF-UHFFFAOYSA-N
XLogP2.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 170460067) is 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is OTKGJMQKDRIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-12(14,15)9-7-10(19-5-1-3-16-19)18-11(8-9)20-6-2-4-17-20/h1-8H.
What are the key properties of 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 279.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 170460067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).