2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C8H4F4N4 — CID 167843343

IUPAC2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1cccc(-c2n[nH]c(C(F)(F)F)n2)n1
InChIInChI=1S/C8H4F4N4/c9-5-3-1-2-4(13-5)6-14-7(16-15-6)8(10,11)12/h1-3H,(H,14,15,16)
InChIKeyDKXQYLUEDQQABI-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.02
Rot. Bonds1

About 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 167843343) has the molecular formula C8H4F4N4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID167843343
Molecular FormulaC8H4F4N4
Molecular Weight232.14 g/mol
Exact Mass232.04
IUPAC Name2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1cccc(-c2n[nH]c(C(F)(F)F)n2)n1
InChIInChI=1S/C8H4F4N4/c9-5-3-1-2-4(13-5)6-14-7(16-15-6)8(10,11)12/h1-3H,(H,14,15,16)
InChIKeyDKXQYLUEDQQABI-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 167843343) is 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is Fc1cccc(-c2n[nH]c(C(F)(F)F)n2)n1.
What is the InChIKey of 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is DKXQYLUEDQQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N4/c9-5-3-1-2-4(13-5)6-14-7(16-15-6)8(10,11)12/h1-3H,(H,14,15,16).
What are the key properties of 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 232.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 167843343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).