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

C11H8BrClN2O — CID 65429796

IUPAC5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)ccc1Oc1ncccc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-7-3-4-10(9(14)6-7)16-11-8(13)2-1-5-15-11/h1-6H,14H2
InChIKeyLIYDKAQRCVHTCP-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.87
Rot. Bonds2

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

5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline (PubChem CID 65429796) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
PubChem CID65429796
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)ccc1Oc1ncccc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-7-3-4-10(9(14)6-7)16-11-8(13)2-1-5-15-11/h1-6H,14H2
InChIKeyLIYDKAQRCVHTCP-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.87
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-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]-3-methylaniline
CID 79842800
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
CID 55228286
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
CID 26190495
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline?
The IUPAC name of 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline (CID 65429796) is 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline is Nc1cc(Br)ccc1Oc1ncccc1Cl.
What is the InChIKey of 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline?
The InChIKey is LIYDKAQRCVHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-7-3-4-10(9(14)6-7)16-11-8(13)2-1-5-15-11/h1-6H,14H2.
What are the key properties of 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline?
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline has a molecular weight of 299.56 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 65429796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).