5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine

C7H6F2N4 — CID 140855121

IUPAC5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine
SMILESFc1ccc(N2CN(F)C=N2)nc1
InChIInChI=1S/C7H6F2N4/c8-6-1-2-7(10-3-6)13-5-12(9)4-11-13/h1-4H,5H2
InChIKeyONBOJIMJIVAYEB-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.13
Rot. Bonds1

About 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine

5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine (PubChem CID 140855121) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine
PubChem CID140855121
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine
SMILESFc1ccc(N2CN(F)C=N2)nc1
InChIInChI=1S/C7H6F2N4/c8-6-1-2-7(10-3-6)13-5-12(9)4-11-13/h1-4H,5H2
InChIKeyONBOJIMJIVAYEB-UHFFFAOYSA-N
XLogP1.13
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine?
The IUPAC name of 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine (CID 140855121) is 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine?
The canonical SMILES for 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine is Fc1ccc(N2CN(F)C=N2)nc1.
What is the InChIKey of 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine?
The InChIKey is ONBOJIMJIVAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c8-6-1-2-7(10-3-6)13-5-12(9)4-11-13/h1-4H,5H2.
What are the key properties of 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine?
5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine has a molecular weight of 184.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine is sourced from PubChem (CID 140855121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).