6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine

C13H11F2N3O3 — CID 80880029

IUPAC6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H11F2N3O3/c1-2-16-12-4-3-5-13(17-12)21-11-7-8(14)10(18(19)20)6-9(11)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyOTRXNFYHYSMNIY-UHFFFAOYSA-N
MW295.25 g/mol
LogP3.49
Rot. Bonds5

About 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine

6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine (PubChem CID 80880029) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine
PubChem CID80880029
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H11F2N3O3/c1-2-16-12-4-3-5-13(17-12)21-11-7-8(14)10(18(19)20)6-9(11)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyOTRXNFYHYSMNIY-UHFFFAOYSA-N
XLogP3.49
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.49
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'}

Analyze 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
[6-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 80931175
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63941746
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80882199

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine (CID 80880029) is 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine is CCNc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine?
The InChIKey is OTRXNFYHYSMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-2-16-12-4-3-5-13(17-12)21-11-7-8(14)10(18(19)20)6-9(11)15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine?
6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine has a molecular weight of 295.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80880029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).