4-(3-fluorophenoxy)-3-nitropyridin-2-amine

C11H8FN3O3 — CID 141144009

IUPAC4-(3-fluorophenoxy)-3-nitropyridin-2-amine
SMILESNc1nccc(Oc2cccc(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O3/c12-7-2-1-3-8(6-7)18-9-4-5-14-11(13)10(9)15(16)17/h1-6H,(H2,13,14)
InChIKeyXBGLIMKHUAIEKA-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.50
Rot. Bonds3

About 4-(3-fluorophenoxy)-3-nitropyridin-2-amine

4-(3-fluorophenoxy)-3-nitropyridin-2-amine (PubChem CID 141144009) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-3-nitropyridin-2-amine
PubChem CID141144009
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-(3-fluorophenoxy)-3-nitropyridin-2-amine
SMILESNc1nccc(Oc2cccc(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O3/c12-7-2-1-3-8(6-7)18-9-4-5-14-11(13)10(9)15(16)17/h1-6H,(H2,13,14)
InChIKeyXBGLIMKHUAIEKA-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 4-(3-fluorophenoxy)-3-nitropyridin-2-amine?
The IUPAC name of 4-(3-fluorophenoxy)-3-nitropyridin-2-amine (CID 141144009) is 4-(3-fluorophenoxy)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-(3-fluorophenoxy)-3-nitropyridin-2-amine?
The canonical SMILES for 4-(3-fluorophenoxy)-3-nitropyridin-2-amine is Nc1nccc(Oc2cccc(F)c2)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-fluorophenoxy)-3-nitropyridin-2-amine?
The InChIKey is XBGLIMKHUAIEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-7-2-1-3-8(6-7)18-9-4-5-14-11(13)10(9)15(16)17/h1-6H,(H2,13,14).
What are the key properties of 4-(3-fluorophenoxy)-3-nitropyridin-2-amine?
4-(3-fluorophenoxy)-3-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 4-(3-fluorophenoxy)-3-nitropyridin-2-amine is sourced from PubChem (CID 141144009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).