3-Chloro-2-(pyridin-3-yloxy)aniline

C11H9ClN2O — CID 6485400

IUPAC3-chloro-2-pyridin-3-yloxyaniline
SMILESC1=CC(=C(C(=C1)Cl)OC2=CN=CC=C2)N
InChIInChI=1S/C11H9ClN2O/c12-9-4-1-5-10(13)11(9)15-8-3-2-6-14-7-8/h1-7H,13H2
InChIKeyGVHXELSOINPUQV-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.30
Rot. Bonds2

About 3-Chloro-2-(pyridin-3-yloxy)aniline

3-Chloro-2-(pyridin-3-yloxy)aniline (PubChem CID 6485400) has the molecular formula C11H9ClN2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 3-chloro-2-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name3-Chloro-2-(pyridin-3-yloxy)aniline
PubChem CID6485400
Molecular FormulaC11H9ClN2O
Molecular Weight220.65 g/mol
Exact Mass220.04
IUPAC Name3-chloro-2-pyridin-3-yloxyaniline
SMILESC1=CC(=C(C(=C1)Cl)OC2=CN=CC=C2)N
InChIInChI=1S/C11H9ClN2O/c12-9-4-1-5-10(13)11(9)15-8-3-2-6-14-7-8/h1-7H,13H2
InChIKeyGVHXELSOINPUQV-UHFFFAOYSA-N
XLogP2.30
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity203

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.30
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-Chloro-2-(pyridin-3-yloxy)aniline?
The IUPAC name of 3-Chloro-2-(pyridin-3-yloxy)aniline (CID 6485400) is 3-chloro-2-pyridin-3-yloxyaniline.
What is the SMILES notation for 3-Chloro-2-(pyridin-3-yloxy)aniline?
The canonical SMILES for 3-Chloro-2-(pyridin-3-yloxy)aniline is C1=CC(=C(C(=C1)Cl)OC2=CN=CC=C2)N.
What is the InChIKey of 3-Chloro-2-(pyridin-3-yloxy)aniline?
The InChIKey is GVHXELSOINPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-4-1-5-10(13)11(9)15-8-3-2-6-14-7-8/h1-7H,13H2.
What are the key properties of 3-Chloro-2-(pyridin-3-yloxy)aniline?
3-Chloro-2-(pyridin-3-yloxy)aniline has a molecular weight of 220.65 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Chloro-2-(pyridin-3-yloxy)aniline is sourced from PubChem (CID 6485400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).