2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine

C13H9N5O3 — CID 160610381

IUPAC2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc(-c3cn[nH]c3)c2)cn1
InChIInChI=1S/C13H9N5O3/c19-18(20)13-2-1-11(8-15-13)21-10-3-4-14-12(5-10)9-6-16-17-7-9/h1-8H,(H,16,17)
InChIKeyRFLCDWMWYWSEBR-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.57
Rot. Bonds4

About 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine

2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine (PubChem CID 160610381) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
PubChem CID160610381
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc(-c3cn[nH]c3)c2)cn1
InChIInChI=1S/C13H9N5O3/c19-18(20)13-2-1-11(8-15-13)21-10-3-4-14-12(5-10)9-6-16-17-7-9/h1-8H,(H,16,17)
InChIKeyRFLCDWMWYWSEBR-UHFFFAOYSA-N
XLogP2.57
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.57
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'}

Analyze 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The IUPAC name of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine (CID 160610381) is 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine is O=[N+]([O-])c1ccc(Oc2ccnc(-c3cn[nH]c3)c2)cn1.
What is the InChIKey of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The InChIKey is RFLCDWMWYWSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c19-18(20)13-2-1-11(8-15-13)21-10-3-4-14-12(5-10)9-6-16-17-7-9/h1-8H,(H,16,17).
What are the key properties of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine has a molecular weight of 283.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine is sourced from PubChem (CID 160610381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).