5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine

C13H12ClN3O3 — CID 104536170

IUPAC5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12ClN3O3/c1-2-16-10-6-11(8-15-7-10)20-13-4-3-9(14)5-12(13)17(18)19/h3-8,16H,2H2,1H3
InChIKeyHVTKNIKDYRWNER-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.87
Rot. Bonds5

About 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine

5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine (PubChem CID 104536170) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
PubChem CID104536170
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12ClN3O3/c1-2-16-10-6-11(8-15-7-10)20-13-4-3-9(14)5-12(13)17(18)19/h3-8,16H,2H2,1H3
InChIKeyHVTKNIKDYRWNER-UHFFFAOYSA-N
XLogP3.87
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.87
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 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-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

5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
CID 104536675
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
5-[(4-chlorophenyl)methoxy]-N-ethylpyridin-3-amine
CID 104536863
N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
CID 107669687
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine?
The IUPAC name of 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine (CID 104536170) is 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine?
The canonical SMILES for 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine is CCNc1cncc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine?
The InChIKey is HVTKNIKDYRWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-2-16-10-6-11(8-15-7-10)20-13-4-3-9(14)5-12(13)17(18)19/h3-8,16H,2H2,1H3.
What are the key properties of 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine?
5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine has a molecular weight of 293.71 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine is sourced from PubChem (CID 104536170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).