6-(3-ethylphenoxy)-5-nitropyridin-2-amine

C13H13N3O3 — CID 80860522

IUPAC6-(3-ethylphenoxy)-5-nitropyridin-2-amine
SMILESCCc1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3,(H2,14,15)
InChIKeyFDRQITHRLAYGCG-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.93
Rot. Bonds4

About 6-(3-ethylphenoxy)-5-nitropyridin-2-amine

6-(3-ethylphenoxy)-5-nitropyridin-2-amine (PubChem CID 80860522) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-(3-ethylphenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-ethylphenoxy)-5-nitropyridin-2-amine
PubChem CID80860522
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-(3-ethylphenoxy)-5-nitropyridin-2-amine
SMILESCCc1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3,(H2,14,15)
InChIKeyFDRQITHRLAYGCG-UHFFFAOYSA-N
XLogP2.93
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.93
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-(3-ethylphenoxy)-5-nitropyridin-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

6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
5-nitro-6-quinolin-7-yloxypyridin-2-amine
CID 107315829
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylphenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-ethylphenoxy)-5-nitropyridin-2-amine (CID 80860522) is 6-(3-ethylphenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-ethylphenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-ethylphenoxy)-5-nitropyridin-2-amine is CCc1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-(3-ethylphenoxy)-5-nitropyridin-2-amine?
The InChIKey is FDRQITHRLAYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3,(H2,14,15).
What are the key properties of 6-(3-ethylphenoxy)-5-nitropyridin-2-amine?
6-(3-ethylphenoxy)-5-nitropyridin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylphenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80860522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).