2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine

C8H2F4N4O2 — CID 7354176

IUPAC2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccn(-c2c(F)c(F)nc(F)c2F)n1
InChIInChI=1S/C8H2F4N4O2/c9-4-6(5(10)8(12)13-7(4)11)15-2-1-3(14-15)16(17)18/h1-2H
InChIKeyKMHRREBKROUAEZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP1.73
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine

2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine (PubChem CID 7354176) has the molecular formula C8H2F4N4O2 and a molecular weight of 262.12 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine
PubChem CID7354176
Molecular FormulaC8H2F4N4O2
Molecular Weight262.12 g/mol
Exact Mass262.01
IUPAC Name2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccn(-c2c(F)c(F)nc(F)c2F)n1
InChIInChI=1S/C8H2F4N4O2/c9-4-6(5(10)8(12)13-7(4)11)15-2-1-3(14-15)16(17)18/h1-2H
InChIKeyKMHRREBKROUAEZ-UHFFFAOYSA-N
XLogP1.73
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine (CID 7354176) is 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1ccn(-c2c(F)c(F)nc(F)c2F)n1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine?
The InChIKey is KMHRREBKROUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F4N4O2/c9-4-6(5(10)8(12)13-7(4)11)15-2-1-3(14-15)16(17)18/h1-2H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine?
2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine has a molecular weight of 262.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(3-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 7354176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).