2-(2-fluoro-4-nitrophenyl)triazole

C8H5FN4O2 — CID 10608422

IUPAC2-(2-fluoro-4-nitrophenyl)triazole
SMILESO=[N+]([O-])c1ccc(-n2nccn2)c(F)c1
InChIInChI=1S/C8H5FN4O2/c9-7-5-6(13(14)15)1-2-8(7)12-10-3-4-11-12/h1-5H
InChIKeyJUVVIXJCRBLXIB-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.31
Rot. Bonds2

About 2-(2-fluoro-4-nitrophenyl)triazole

2-(2-fluoro-4-nitrophenyl)triazole (PubChem CID 10608422) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)triazole.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)triazole
PubChem CID10608422
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name2-(2-fluoro-4-nitrophenyl)triazole
SMILESO=[N+]([O-])c1ccc(-n2nccn2)c(F)c1
InChIInChI=1S/C8H5FN4O2/c9-7-5-6(13(14)15)1-2-8(7)12-10-3-4-11-12/h1-5H
InChIKeyJUVVIXJCRBLXIB-UHFFFAOYSA-N
XLogP1.31
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenyl)triazole?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)triazole (CID 10608422) is 2-(2-fluoro-4-nitrophenyl)triazole.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)triazole?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)triazole is O=[N+]([O-])c1ccc(-n2nccn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)triazole?
The InChIKey is JUVVIXJCRBLXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-7-5-6(13(14)15)1-2-8(7)12-10-3-4-11-12/h1-5H.
What are the key properties of 2-(2-fluoro-4-nitrophenyl)triazole?
2-(2-fluoro-4-nitrophenyl)triazole has a molecular weight of 208.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)triazole is sourced from PubChem (CID 10608422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).