6-(2-fluorophenoxy)-5-nitropyridin-2-amine

C11H8FN3O3 — CID 80863952

IUPAC6-(2-fluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccccc2F)n1
InChIInChI=1S/C11H8FN3O3/c12-7-3-1-2-4-9(7)18-11-8(15(16)17)5-6-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyBFJAKFVPIRSCCY-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.50
Rot. Bonds3

About 6-(2-fluorophenoxy)-5-nitropyridin-2-amine

6-(2-fluorophenoxy)-5-nitropyridin-2-amine (PubChem CID 80863952) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-5-nitropyridin-2-amine
PubChem CID80863952
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name6-(2-fluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccccc2F)n1
InChIInChI=1S/C11H8FN3O3/c12-7-3-1-2-4-9(7)18-11-8(15(16)17)5-6-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyBFJAKFVPIRSCCY-UHFFFAOYSA-N
XLogP2.50
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 6-(2-fluorophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(2-fluorophenoxy)-5-nitropyridin-2-amine (CID 80863952) is 6-(2-fluorophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-fluorophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2-fluorophenoxy)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2ccccc2F)n1.
What is the InChIKey of 6-(2-fluorophenoxy)-5-nitropyridin-2-amine?
The InChIKey is BFJAKFVPIRSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-7-3-1-2-4-9(7)18-11-8(15(16)17)5-6-10(13)14-11/h1-6H,(H2,13,14).
What are the key properties of 6-(2-fluorophenoxy)-5-nitropyridin-2-amine?
6-(2-fluorophenoxy)-5-nitropyridin-2-amine has a molecular weight of 249.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80863952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).