3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole

C12H8N4O3 — CID 2800961

IUPAC3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole
SMILESO=[N+]([O-])c1ccc(Oc2n[nH]c3ccccc23)nc1
InChIInChI=1S/C12H8N4O3/c17-16(18)8-5-6-11(13-7-8)19-12-9-3-1-2-4-10(9)14-15-12/h1-7H,(H,14,15)
InChIKeyIAADIFBEKMOUCT-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.66
Rot. Bonds3

About 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole

3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole (PubChem CID 2800961) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole.

Molecular Properties

Compound Name3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole
PubChem CID2800961
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole
SMILESO=[N+]([O-])c1ccc(Oc2n[nH]c3ccccc23)nc1
InChIInChI=1S/C12H8N4O3/c17-16(18)8-5-6-11(13-7-8)19-12-9-3-1-2-4-10(9)14-15-12/h1-7H,(H,14,15)
InChIKeyIAADIFBEKMOUCT-UHFFFAOYSA-N
XLogP2.66
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.66
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-[(5-nitro-2-pyridinyl)oxy]-1H-indazole?
The IUPAC name of 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole (CID 2800961) is 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole.
What is the SMILES notation for 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole?
The canonical SMILES for 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole is O=[N+]([O-])c1ccc(Oc2n[nH]c3ccccc23)nc1.
What is the InChIKey of 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole?
The InChIKey is IAADIFBEKMOUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-16(18)8-5-6-11(13-7-8)19-12-9-3-1-2-4-10(9)14-15-12/h1-7H,(H,14,15).
What are the key properties of 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole?
3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole has a molecular weight of 256.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitro-2-pyridinyl)oxy]-1H-indazole is sourced from PubChem (CID 2800961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).