5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine

C12H8F3N3O3 — CID 80867639

IUPAC5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-2-4-9(7)21-11-8(18(19)20)5-6-10(16)17-11/h1-6H,(H2,16,17)
InChIKeyXNHKKCMAHLJHIH-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.38
Rot. Bonds3

About 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine

5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine (PubChem CID 80867639) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
PubChem CID80867639
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-2-4-9(7)21-11-8(18(19)20)5-6-10(16)17-11/h1-6H,(H2,16,17)
InChIKeyXNHKKCMAHLJHIH-UHFFFAOYSA-N
XLogP3.38
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.38
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 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The IUPAC name of 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine (CID 80867639) is 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The canonical SMILES for 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The InChIKey is XNHKKCMAHLJHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-2-4-9(7)21-11-8(18(19)20)5-6-10(16)17-11/h1-6H,(H2,16,17).
What are the key properties of 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine is sourced from PubChem (CID 80867639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).