3-hydroxy-5-nitropyridine-2-carbonitrile

C6H3N3O3 — CID 130776817

IUPAC3-hydroxy-5-nitropyridine-2-carbonitrile
SMILESN#Cc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C6H3N3O3/c7-2-5-6(10)1-4(3-8-5)9(11)12/h1,3,10H
InChIKeyGSPGNQICRZDXMK-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.57
Rot. Bonds1

About 3-hydroxy-5-nitropyridine-2-carbonitrile

3-hydroxy-5-nitropyridine-2-carbonitrile (PubChem CID 130776817) has the molecular formula C6H3N3O3 and a molecular weight of 165.11 g/mol. Its IUPAC name is 3-hydroxy-5-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-nitropyridine-2-carbonitrile
PubChem CID130776817
Molecular FormulaC6H3N3O3
Molecular Weight165.11 g/mol
Exact Mass165.02
IUPAC Name3-hydroxy-5-nitropyridine-2-carbonitrile
SMILESN#Cc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C6H3N3O3/c7-2-5-6(10)1-4(3-8-5)9(11)12/h1,3,10H
InChIKeyGSPGNQICRZDXMK-UHFFFAOYSA-N
XLogP0.57
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-hydroxy-5-nitropyridine-2-carbonitrile?
The IUPAC name of 3-hydroxy-5-nitropyridine-2-carbonitrile (CID 130776817) is 3-hydroxy-5-nitropyridine-2-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-nitropyridine-2-carbonitrile?
The canonical SMILES for 3-hydroxy-5-nitropyridine-2-carbonitrile is N#Cc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of 3-hydroxy-5-nitropyridine-2-carbonitrile?
The InChIKey is GSPGNQICRZDXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3/c7-2-5-6(10)1-4(3-8-5)9(11)12/h1,3,10H.
What are the key properties of 3-hydroxy-5-nitropyridine-2-carbonitrile?
3-hydroxy-5-nitropyridine-2-carbonitrile has a molecular weight of 165.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-nitropyridine-2-carbonitrile is sourced from PubChem (CID 130776817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).