3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline

C13H12BrClN2O — CID 60892611

IUPAC3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline
SMILESNc1cc(Cl)cc(Br)c1OCCc1ccccn1
InChIInChI=1S/C13H12BrClN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2
InChIKeyIQHPTZFFKRGLGQ-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.70
Rot. Bonds4

About 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline

3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline (PubChem CID 60892611) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline
PubChem CID60892611
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline
SMILESNc1cc(Cl)cc(Br)c1OCCc1ccccn1
InChIInChI=1S/C13H12BrClN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2
InChIKeyIQHPTZFFKRGLGQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.70
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

3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
CID 60891469
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-pyridin-2-ylethyl cyanate
CID 21195134
5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
3-bromo-5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103177316
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline?
The IUPAC name of 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline (CID 60892611) is 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline is Nc1cc(Cl)cc(Br)c1OCCc1ccccn1.
What is the InChIKey of 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline?
The InChIKey is IQHPTZFFKRGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2.
What are the key properties of 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline?
3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline has a molecular weight of 327.61 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline is sourced from PubChem (CID 60892611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).