2-aminooxy-5-nitropyridine-3-carbonitrile

C6H4N4O3 — CID 79427693

IUPAC2-aminooxy-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1ON
InChIInChI=1S/C6H4N4O3/c7-2-4-1-5(10(11)12)3-9-6(4)13-8/h1,3H,8H2
InChIKeyZKKYXEYNWDETNU-UHFFFAOYSA-N
MW180.12 g/mol
LogP0.11
Rot. Bonds2

About 2-aminooxy-5-nitropyridine-3-carbonitrile

2-aminooxy-5-nitropyridine-3-carbonitrile (PubChem CID 79427693) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2-aminooxy-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-aminooxy-5-nitropyridine-3-carbonitrile
PubChem CID79427693
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name2-aminooxy-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1ON
InChIInChI=1S/C6H4N4O3/c7-2-4-1-5(10(11)12)3-9-6(4)13-8/h1,3H,8H2
InChIKeyZKKYXEYNWDETNU-UHFFFAOYSA-N
XLogP0.11
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.11
H-Bond Donors ≤ 51
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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Related Compounds

2-(3-aminocyclohexyl)oxy-5-nitropyridine-3-carbonitrile
CID 79464691
2-(3-hydroxy-2-methylphenoxy)-5-nitropyridine-3-carbonitrile
CID 62098865
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carbonitrile
CID 106825880
2-ethoxy-5-nitropyridine-3-carbonitrile;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 160767984
2-cyano-4-nitrophenolate
CID 15373227
3-hydroxy-5-nitropyridine-2-carbonitrile
CID 130776817
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83203409
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-[1-cyanopropan-2-yl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 63228520
2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 113285817
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-aminooxy-5-nitropyridine-3-carbonitrile (CID 79427693) is 2-aminooxy-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-aminooxy-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-aminooxy-5-nitropyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cnc1ON.
What is the InChIKey of 2-aminooxy-5-nitropyridine-3-carbonitrile?
The InChIKey is ZKKYXEYNWDETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c7-2-4-1-5(10(11)12)3-9-6(4)13-8/h1,3H,8H2.
What are the key properties of 2-aminooxy-5-nitropyridine-3-carbonitrile?
2-aminooxy-5-nitropyridine-3-carbonitrile has a molecular weight of 180.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 79427693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).