2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile

C8H8N4O3 — CID 2831744

IUPAC2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCO
InChIInChI=1S/C8H8N4O3/c9-4-6-3-7(12(14)15)5-11-8(6)10-1-2-13/h3,5,13H,1-2H2,(H,10,11)
InChIKeyJQZYODGQFMIZJU-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.27
Rot. Bonds4

About 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile

2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 2831744) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile
PubChem CID2831744
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCO
InChIInChI=1S/C8H8N4O3/c9-4-6-3-7(12(14)15)5-11-8(6)10-1-2-13/h3,5,13H,1-2H2,(H,10,11)
InChIKeyJQZYODGQFMIZJU-UHFFFAOYSA-N
XLogP0.27
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile (CID 2831744) is 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cnc1NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is JQZYODGQFMIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-4-6-3-7(12(14)15)5-11-8(6)10-1-2-13/h3,5,13H,1-2H2,(H,10,11).
What are the key properties of 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile?
2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 208.18 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 2831744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).