2-nitro-5-pyridin-2-ylaniline

C11H9N3O2 — CID 89158283

IUPAC2-nitro-5-pyridin-2-ylaniline
SMILESNc1cc(-c2ccccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c12-9-7-8(4-5-11(9)14(15)16)10-3-1-2-6-13-10/h1-7H,12H2
InChIKeyXTQUJIFDWMYANP-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.24
Rot. Bonds2

About 2-nitro-5-pyridin-2-ylaniline

2-nitro-5-pyridin-2-ylaniline (PubChem CID 89158283) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-nitro-5-pyridin-2-ylaniline.

Molecular Properties

Compound Name2-nitro-5-pyridin-2-ylaniline
PubChem CID89158283
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-nitro-5-pyridin-2-ylaniline
SMILESNc1cc(-c2ccccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c12-9-7-8(4-5-11(9)14(15)16)10-3-1-2-6-13-10/h1-7H,12H2
InChIKeyXTQUJIFDWMYANP-UHFFFAOYSA-N
XLogP2.24
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-nitro-5-pyridin-2-ylaniline?
The IUPAC name of 2-nitro-5-pyridin-2-ylaniline (CID 89158283) is 2-nitro-5-pyridin-2-ylaniline.
What is the SMILES notation for 2-nitro-5-pyridin-2-ylaniline?
The canonical SMILES for 2-nitro-5-pyridin-2-ylaniline is Nc1cc(-c2ccccn2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-5-pyridin-2-ylaniline?
The InChIKey is XTQUJIFDWMYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-9-7-8(4-5-11(9)14(15)16)10-3-1-2-6-13-10/h1-7H,12H2.
What are the key properties of 2-nitro-5-pyridin-2-ylaniline?
2-nitro-5-pyridin-2-ylaniline has a molecular weight of 215.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-pyridin-2-ylaniline is sourced from PubChem (CID 89158283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).