4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane

C13H16N4O3 — CID 91101107

IUPAC4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
SMILESCC.Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O3.C2H6/c12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;1-2/h1-6H,12H2,(H2,13,14);1-2H3
InChIKeyBICLVRQJDQGWFJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane

4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane (PubChem CID 91101107) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
PubChem CID91101107
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
SMILESCC.Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O3.C2H6/c12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;1-2/h1-6H,12H2,(H2,13,14);1-2H3
InChIKeyBICLVRQJDQGWFJ-UHFFFAOYSA-N
XLogP2.97
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane 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

4-[4-(aminomethyl)phenoxy]-3-nitropyridin-2-amine;4-chloro-3-nitropyridin-2-amine
CID 162140600
4-(3-fluorophenoxy)-3-nitropyridin-2-amine
CID 141144009
3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
CID 59588847
3-nitro-4-pentoxypyridin-2-amine
CID 67636767
9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate
CID 141307800
4-(4-aminophenoxy)-3-chloropyridin-2-amine
CID 89410344
tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]carbamate
CID 155586353
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
CID 142410654
tert-butyl N-methylcarbamate;4-chloro-3-nitropyridin-2-amine;ethane;methanamine;bis(3-nitro-4-phenoxypyridin-2-amine);phenol;4-phenoxypyridine-2,3-diamine
CID 159975113
ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
CID 143215967
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane?
The IUPAC name of 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane (CID 91101107) is 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane.
What is the SMILES notation for 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane?
The canonical SMILES for 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane is CC.Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane?
The InChIKey is BICLVRQJDQGWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3.C2H6/c12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;1-2/h1-6H,12H2,(H2,13,14);1-2H3.
What are the key properties of 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane?
4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane has a molecular weight of 276.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane is sourced from PubChem (CID 91101107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).