4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride

C11H9Cl3N2O — CID 42940674

IUPAC4-[(3,5-dichloro-2-pyridinyl)oxy]aniline;hydrochloride
SMILESC1=CC(=CC=C1N)OC2=C(C=C(C=N2)Cl)Cl.Cl
InChIInChI=1S/C11H8Cl2N2O.ClH/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9;/h1-6H,14H2;1H
InChIKeyJMJQMSARVDLXBA-UHFFFAOYSA-N
MW291.60 g/mol
LogP—
Rot. Bonds2

About 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride

4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride (PubChem CID 42940674) has the molecular formula C11H9Cl3N2O and a molecular weight of 291.60 g/mol. Its IUPAC name is 4-[(3,5-dichloro-2-pyridinyl)oxy]aniline;hydrochloride.

Molecular Properties

Compound Name4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride
PubChem CID42940674
Molecular FormulaC11H9Cl3N2O
Molecular Weight291.60 g/mol
Exact Mass289.98
IUPAC Name4-[(3,5-dichloro-2-pyridinyl)oxy]aniline;hydrochloride
SMILESC1=CC(=CC=C1N)OC2=C(C=C(C=N2)Cl)Cl.Cl
InChIInChI=1S/C11H8Cl2N2O.ClH/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9;/h1-6H,14H2;1H
InChIKeyJMJQMSARVDLXBA-UHFFFAOYSA-N
XLogP—
TPSA48.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity222

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
H-Bond Donors ≤ 52
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-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride?
The IUPAC name of 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride (CID 42940674) is 4-[(3,5-dichloro-2-pyridinyl)oxy]aniline;hydrochloride.
What is the SMILES notation for 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride?
The canonical SMILES for 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride is C1=CC(=CC=C1N)OC2=C(C=C(C=N2)Cl)Cl.Cl.
What is the InChIKey of 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride?
The InChIKey is JMJQMSARVDLXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O.ClH/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9;/h1-6H,14H2;1H.
What are the key properties of 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride?
4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride has a molecular weight of 291.60 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-((3,5-Dichloropyridin-2-yl)oxy)aniline hydrochloride is sourced from PubChem (CID 42940674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).