2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C13H7F6N5 — CID 54772444

IUPAC2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n[nH]1
InChIInChI=1S/C13H7F6N5/c14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19/h1-5H,(H,21,23)(H,22,24)
InChIKeyPWKBMUCVFMXDMI-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.90
Rot. Bonds2

About 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 54772444) has the molecular formula C13H7F6N5 and a molecular weight of 347.22 g/mol. Its IUPAC name is 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID54772444
Molecular FormulaC13H7F6N5
Molecular Weight347.22 g/mol
Exact Mass347.06
IUPAC Name2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n[nH]1
InChIInChI=1S/C13H7F6N5/c14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19/h1-5H,(H,21,23)(H,22,24)
InChIKeyPWKBMUCVFMXDMI-UHFFFAOYSA-N
XLogP3.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 54772444) is 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n[nH]1.
What is the InChIKey of 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is PWKBMUCVFMXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N5/c14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19/h1-5H,(H,21,23)(H,22,24).
What are the key properties of 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 347.22 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 54772444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).