2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline

C11H8BrClN2O — CID 115469300

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
SMILESNc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-7-3-9(6-15-5-7)16-11-4-8(13)1-2-10(11)14/h1-6H,14H2
InChIKeyCHFZKZSTOKJSCJ-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.87
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline

2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline (PubChem CID 115469300) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
PubChem CID115469300
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
SMILESNc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-7-3-9(6-15-5-7)16-11-4-8(13)1-2-10(11)14/h1-6H,14H2
InChIKeyCHFZKZSTOKJSCJ-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

2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
CID 114089160
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
5-(2,5-dichlorophenoxy)pyridin-3-amine
CID 104536326
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
CID 114857412
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
4-chloro-2-[(5-chloro-2-pyridinyl)oxy]aniline
CID 62306379
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
(1R)-1-[4-[(5-bromo-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 78962755
4-[(5-bromo-3-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 59735755
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline (CID 115469300) is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline is Nc1ccc(Cl)cc1Oc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline?
The InChIKey is CHFZKZSTOKJSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-7-3-9(6-15-5-7)16-11-4-8(13)1-2-10(11)14/h1-6H,14H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline?
2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline 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 2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline is sourced from PubChem (CID 115469300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).