3-fluoro-2-nitro-4-(trifluoromethyl)pyridine

C6H2F4N2O2 — CID 131072337

IUPAC3-fluoro-2-nitro-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nccc(C(F)(F)F)c1F
InChIInChI=1S/C6H2F4N2O2/c7-4-3(6(8,9)10)1-2-11-5(4)12(13)14/h1-2H
InChIKeyOWYRHPOJSPUYJX-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.15
Rot. Bonds1

About 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine

3-fluoro-2-nitro-4-(trifluoromethyl)pyridine (PubChem CID 131072337) has the molecular formula C6H2F4N2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-nitro-4-(trifluoromethyl)pyridine
PubChem CID131072337
Molecular FormulaC6H2F4N2O2
Molecular Weight210.09 g/mol
Exact Mass210.01
IUPAC Name3-fluoro-2-nitro-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nccc(C(F)(F)F)c1F
InChIInChI=1S/C6H2F4N2O2/c7-4-3(6(8,9)10)1-2-11-5(4)12(13)14/h1-2H
InChIKeyOWYRHPOJSPUYJX-UHFFFAOYSA-N
XLogP2.15
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine (CID 131072337) is 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine is O=[N+]([O-])c1nccc(C(F)(F)F)c1F.
What is the InChIKey of 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine?
The InChIKey is OWYRHPOJSPUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4N2O2/c7-4-3(6(8,9)10)1-2-11-5(4)12(13)14/h1-2H.
What are the key properties of 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine?
3-fluoro-2-nitro-4-(trifluoromethyl)pyridine has a molecular weight of 210.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-nitro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 131072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).