2-[(3,5-dinitro-2-pyridinyl)amino]ethanol

C7H8N4O5 — CID 3108282

IUPAC2-[(3,5-dinitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N4O5/c12-2-1-8-7-6(11(15)16)3-5(4-9-7)10(13)14/h3-4,12H,1-2H2,(H,8,9)
InChIKeyZJKASMZYORAQRI-UHFFFAOYSA-N
MW228.16 g/mol
LogP0.30
Rot. Bonds5

About 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol

2-[(3,5-dinitro-2-pyridinyl)amino]ethanol (PubChem CID 3108282) has the molecular formula C7H8N4O5 and a molecular weight of 228.16 g/mol. Its IUPAC name is 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dinitro-2-pyridinyl)amino]ethanol
PubChem CID3108282
Molecular FormulaC7H8N4O5
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name2-[(3,5-dinitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N4O5/c12-2-1-8-7-6(11(15)16)3-5(4-9-7)10(13)14/h3-4,12H,1-2H2,(H,8,9)
InChIKeyZJKASMZYORAQRI-UHFFFAOYSA-N
XLogP0.30
TPSA131.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol (CID 3108282) is 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol is O=[N+]([O-])c1cnc(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol?
The InChIKey is ZJKASMZYORAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O5/c12-2-1-8-7-6(11(15)16)3-5(4-9-7)10(13)14/h3-4,12H,1-2H2,(H,8,9).
What are the key properties of 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol?
2-[(3,5-dinitro-2-pyridinyl)amino]ethanol has a molecular weight of 228.16 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dinitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 3108282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).