3-nitro-5-pyridin-3-yloxyaniline

C11H9N3O3 — CID 4084981

IUPAC3-nitro-5-pyridin-3-yloxyaniline
SMILESNc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3/c12-8-4-9(14(15)16)6-11(5-8)17-10-2-1-3-13-7-10/h1-7H,12H2
InChIKeyNWCLYURCWSIPSZ-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.36
Rot. Bonds3

About 3-nitro-5-pyridin-3-yloxyaniline

3-nitro-5-pyridin-3-yloxyaniline (PubChem CID 4084981) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-nitro-5-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name3-nitro-5-pyridin-3-yloxyaniline
PubChem CID4084981
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-nitro-5-pyridin-3-yloxyaniline
SMILESNc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3/c12-8-4-9(14(15)16)6-11(5-8)17-10-2-1-3-13-7-10/h1-7H,12H2
InChIKeyNWCLYURCWSIPSZ-UHFFFAOYSA-N
XLogP2.36
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-nitro-5-pyridin-3-yloxyaniline?
The IUPAC name of 3-nitro-5-pyridin-3-yloxyaniline (CID 4084981) is 3-nitro-5-pyridin-3-yloxyaniline.
What is the SMILES notation for 3-nitro-5-pyridin-3-yloxyaniline?
The canonical SMILES for 3-nitro-5-pyridin-3-yloxyaniline is Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-5-pyridin-3-yloxyaniline?
The InChIKey is NWCLYURCWSIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-8-4-9(14(15)16)6-11(5-8)17-10-2-1-3-13-7-10/h1-7H,12H2.
What are the key properties of 3-nitro-5-pyridin-3-yloxyaniline?
3-nitro-5-pyridin-3-yloxyaniline has a molecular weight of 231.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-pyridin-3-yloxyaniline is sourced from PubChem (CID 4084981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).