2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol

C9H13N3O4 — CID 80859500

IUPAC2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(OCCO)n1
InChIInChI=1S/C9H13N3O4/c1-2-10-8-4-3-7(12(14)15)9(11-8)16-6-5-13/h3-4,13H,2,5-6H2,1H3,(H,10,11)
InChIKeyLAMOZEVJKSGGDX-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.79
Rot. Bonds6

About 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol

2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol (PubChem CID 80859500) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
PubChem CID80859500
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(OCCO)n1
InChIInChI=1S/C9H13N3O4/c1-2-10-8-4-3-7(12(14)15)9(11-8)16-6-5-13/h3-4,13H,2,5-6H2,1H3,(H,10,11)
InChIKeyLAMOZEVJKSGGDX-UHFFFAOYSA-N
XLogP0.79
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol 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-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate
CID 114403191
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol (CID 80859500) is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol is CCNc1ccc([N+](=O)[O-])c(OCCO)n1.
What is the InChIKey of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol?
The InChIKey is LAMOZEVJKSGGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-10-8-4-3-7(12(14)15)9(11-8)16-6-5-13/h3-4,13H,2,5-6H2,1H3,(H,10,11).
What are the key properties of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol?
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol has a molecular weight of 227.22 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 80859500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).