3-pyridin-2-yloxyaniline

C11H10N2O — CID 13150573

IUPAC3-pyridin-2-yloxyaniline
SMILESNc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2
InChIKeyCLQMOPKXIBQKKG-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.46
Rot. Bonds2

About 3-pyridin-2-yloxyaniline

3-pyridin-2-yloxyaniline (PubChem CID 13150573) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-pyridin-2-yloxyaniline.

Molecular Properties

Compound Name3-pyridin-2-yloxyaniline
PubChem CID13150573
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-pyridin-2-yloxyaniline
SMILESNc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2
InChIKeyCLQMOPKXIBQKKG-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxyaniline?
The IUPAC name of 3-pyridin-2-yloxyaniline (CID 13150573) is 3-pyridin-2-yloxyaniline.
What is the SMILES notation for 3-pyridin-2-yloxyaniline?
The canonical SMILES for 3-pyridin-2-yloxyaniline is Nc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-yloxyaniline?
The InChIKey is CLQMOPKXIBQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2.
What are the key properties of 3-pyridin-2-yloxyaniline?
3-pyridin-2-yloxyaniline has a molecular weight of 186.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxyaniline is sourced from PubChem (CID 13150573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).