1H-imidazole;2-nitropyridine

C8H8N4O2 — CID 158018318

IUPAC1H-imidazole;2-nitropyridine
SMILESO=[N+]([O-])c1ccccn1.c1c[nH]cn1
InChIInChI=1S/C5H4N2O2.C3H4N2/c8-7(9)5-3-1-2-4-6-5;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5)
InChIKeyFFTDIKWODKYSQT-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.40
Rot. Bonds1

About 1H-imidazole;2-nitropyridine

1H-imidazole;2-nitropyridine (PubChem CID 158018318) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1H-imidazole;2-nitropyridine.

Molecular Properties

Compound Name1H-imidazole;2-nitropyridine
PubChem CID158018318
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1H-imidazole;2-nitropyridine
SMILESO=[N+]([O-])c1ccccn1.c1c[nH]cn1
InChIInChI=1S/C5H4N2O2.C3H4N2/c8-7(9)5-3-1-2-4-6-5;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5)
InChIKeyFFTDIKWODKYSQT-UHFFFAOYSA-N
XLogP1.40
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1H-imidazole;2-nitropyridine?
The IUPAC name of 1H-imidazole;2-nitropyridine (CID 158018318) is 1H-imidazole;2-nitropyridine.
What is the SMILES notation for 1H-imidazole;2-nitropyridine?
The canonical SMILES for 1H-imidazole;2-nitropyridine is O=[N+]([O-])c1ccccn1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;2-nitropyridine?
The InChIKey is FFTDIKWODKYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.C3H4N2/c8-7(9)5-3-1-2-4-6-5;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;2-nitropyridine?
1H-imidazole;2-nitropyridine has a molecular weight of 192.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;2-nitropyridine is sourced from PubChem (CID 158018318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).