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

C7H5FN4 — CID 91801574

IUPAC2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESFc1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C7H5FN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyFEVIISCISAZVAE-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.01
Rot. Bonds1

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

2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 91801574) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID91801574
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESFc1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C7H5FN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyFEVIISCISAZVAE-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.01
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-5-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine (CID 91801574) is 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine is Fc1ccc(-c2ncn[nH]2)cn1.
What is the InChIKey of 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is FEVIISCISAZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12).
What are the key properties of 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine?
2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 164.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 91801574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).