2-azido-5-nitropyridin-1-ium

C5H4N5O2+ — CID 23279414

IUPAC2-azido-5-nitropyridin-1-ium
SMILES[N-]=[N+]=Nc1ccc([N+](=O)[O-])c[nH+]1
InChIInChI=1S/C5H3N5O2/c6-9-8-5-2-1-4(3-7-5)10(11)12/h1-3H/p+1
InChIKeyTUQUNZYKJDZNFV-UHFFFAOYSA-O
MW166.12 g/mol
LogP1.35
Rot. Bonds2

About 2-azido-5-nitropyridin-1-ium

2-azido-5-nitropyridin-1-ium (PubChem CID 23279414) has the molecular formula C5H4N5O2+ and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-azido-5-nitropyridin-1-ium.

Molecular Properties

Compound Name2-azido-5-nitropyridin-1-ium
PubChem CID23279414
Molecular FormulaC5H4N5O2+
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2-azido-5-nitropyridin-1-ium
SMILES[N-]=[N+]=Nc1ccc([N+](=O)[O-])c[nH+]1
InChIInChI=1S/C5H3N5O2/c6-9-8-5-2-1-4(3-7-5)10(11)12/h1-3H/p+1
InChIKeyTUQUNZYKJDZNFV-UHFFFAOYSA-O
XLogP1.35
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-azido-5-nitropyridin-1-ium?
The IUPAC name of 2-azido-5-nitropyridin-1-ium (CID 23279414) is 2-azido-5-nitropyridin-1-ium.
What is the SMILES notation for 2-azido-5-nitropyridin-1-ium?
The canonical SMILES for 2-azido-5-nitropyridin-1-ium is [N-]=[N+]=Nc1ccc([N+](=O)[O-])c[nH+]1.
What is the InChIKey of 2-azido-5-nitropyridin-1-ium?
The InChIKey is TUQUNZYKJDZNFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H3N5O2/c6-9-8-5-2-1-4(3-7-5)10(11)12/h1-3H/p+1.
What are the key properties of 2-azido-5-nitropyridin-1-ium?
2-azido-5-nitropyridin-1-ium has a molecular weight of 166.12 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-nitropyridin-1-ium is sourced from PubChem (CID 23279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).