5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

C7H6F3N3O3 — CID 80859357

IUPAC5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)3-16-6-4(13(14)15)1-2-5(11)12-6/h1-2H,3H2,(H2,11,12)
InChIKeyUNZDUKRKYAOMOL-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.51
Rot. Bonds3

About 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (PubChem CID 80859357) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
PubChem CID80859357
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Name5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)3-16-6-4(13(14)15)1-2-5(11)12-6/h1-2H,3H2,(H2,11,12)
InChIKeyUNZDUKRKYAOMOL-UHFFFAOYSA-N
XLogP1.51
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.51
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-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (CID 80859357) is 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is Nc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The InChIKey is UNZDUKRKYAOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3/c8-7(9,10)3-16-6-4(13(14)15)1-2-5(11)12-6/h1-2H,3H2,(H2,11,12).
What are the key properties of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine has a molecular weight of 237.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is sourced from PubChem (CID 80859357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).