3-(5-nitro-1H-pyrazol-3-yl)pyridine

C8H6N4O2 — CID 135408742

IUPAC3-(5-nitro-1H-pyrazol-3-yl)pyridine
SMILESO=[N+]([O-])c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C8H6N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChIKeyZGGOWUCSFKOJBZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.38
Rot. Bonds2

About 3-(5-nitro-1H-pyrazol-3-yl)pyridine

3-(5-nitro-1H-pyrazol-3-yl)pyridine (PubChem CID 135408742) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-(5-nitro-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-nitro-1H-pyrazol-3-yl)pyridine
PubChem CID135408742
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name3-(5-nitro-1H-pyrazol-3-yl)pyridine
SMILESO=[N+]([O-])c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C8H6N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChIKeyZGGOWUCSFKOJBZ-UHFFFAOYSA-N
XLogP1.38
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.38
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 3-(5-nitro-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 3-(5-nitro-1H-pyrazol-3-yl)pyridine (CID 135408742) is 3-(5-nitro-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-nitro-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 3-(5-nitro-1H-pyrazol-3-yl)pyridine is O=[N+]([O-])c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of 3-(5-nitro-1H-pyrazol-3-yl)pyridine?
The InChIKey is ZGGOWUCSFKOJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-5H,(H,10,11).
What are the key properties of 3-(5-nitro-1H-pyrazol-3-yl)pyridine?
3-(5-nitro-1H-pyrazol-3-yl)pyridine has a molecular weight of 190.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 135408742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).