3-[(5-chloro-2-pyridinyl)oxy]aniline

C11H9ClN2O — CID 43364009

IUPAC3-[(5-chloro-2-pyridinyl)oxy]aniline
SMILESNc1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C11H9ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H,13H2
InChIKeyMADHCSMDMJWRSZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.11
Rot. Bonds2

About 3-[(5-chloro-2-pyridinyl)oxy]aniline

3-[(5-chloro-2-pyridinyl)oxy]aniline (PubChem CID 43364009) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]aniline
PubChem CID43364009
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]aniline
SMILESNc1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C11H9ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H,13H2
InChIKeyMADHCSMDMJWRSZ-UHFFFAOYSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3-fluorophenoxy)pyridine
CID 66233204
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
[6-(3-aminophenoxy)-3-pyridinyl]methanol
CID 89089280
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
3-(6-chloropyrimidin-4-yl)oxyaniline
CID 95928501
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
4-chloro-2-[(5-chloro-2-pyridinyl)oxy]aniline
CID 62306379
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]aniline (CID 43364009) is 3-[(5-chloro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]aniline is Nc1cccc(Oc2ccc(Cl)cn2)c1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]aniline?
The InChIKey is MADHCSMDMJWRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H,13H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]aniline?
3-[(5-chloro-2-pyridinyl)oxy]aniline has a molecular weight of 220.66 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 43364009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).