4-pyridin-3-yloxyaniline

C11H10N2O — CID 3159631

IUPAC4-pyridin-3-yloxyaniline
SMILESNc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
InChIKeyZSLIXJKSPVCNHZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.46
Rot. Bonds2

About 4-pyridin-3-yloxyaniline

4-pyridin-3-yloxyaniline (PubChem CID 3159631) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name4-pyridin-3-yloxyaniline
PubChem CID3159631
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-pyridin-3-yloxyaniline
SMILESNc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
InChIKeyZSLIXJKSPVCNHZ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxyaniline?
The IUPAC name of 4-pyridin-3-yloxyaniline (CID 3159631) is 4-pyridin-3-yloxyaniline.
What is the SMILES notation for 4-pyridin-3-yloxyaniline?
The canonical SMILES for 4-pyridin-3-yloxyaniline is Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-yloxyaniline?
The InChIKey is ZSLIXJKSPVCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2.
What are the key properties of 4-pyridin-3-yloxyaniline?
4-pyridin-3-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 4-pyridin-3-yloxyaniline is sourced from PubChem (CID 3159631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).