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

C9H14N4O3 — CID 80790273

IUPAC2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O3/c1-2-12(5-6-14)9-7(13(15)16)3-4-8(10)11-9/h3-4,14H,2,5-6H2,1H3,(H2,10,11)
InChIKeyLYWBYBOJUIILNG-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.39
Rot. Bonds5

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

2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol (PubChem CID 80790273) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
PubChem CID80790273
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O3/c1-2-12(5-6-14)9-7(13(15)16)3-4-8(10)11-9/h3-4,14H,2,5-6H2,1H3,(H2,10,11)
InChIKeyLYWBYBOJUIILNG-UHFFFAOYSA-N
XLogP0.39
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.39
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-amino-3-nitro-2-pyridinyl)-ethylamino]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

2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
CID 80796190
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
2-N-methyl-2-N-(4-methylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80809884
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
CID 80821307
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol (CID 80790273) is 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol is CCN(CCO)c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol?
The InChIKey is LYWBYBOJUIILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-12(5-6-14)9-7(13(15)16)3-4-8(10)11-9/h3-4,14H,2,5-6H2,1H3,(H2,10,11).
What are the key properties of 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol?
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol is sourced from PubChem (CID 80790273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).