4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline

C11H8BrClN2O — CID 103011473

IUPAC4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Br)c(Oc2ccncc2Cl)c1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(14)5-11(8)16-10-3-4-15-6-9(10)13/h1-6H,14H2
InChIKeyYARXZGPPCWZOEU-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.87
Rot. Bonds2

About 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline

4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline (PubChem CID 103011473) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
PubChem CID103011473
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Br)c(Oc2ccncc2Cl)c1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(14)5-11(8)16-10-3-4-15-6-9(10)13/h1-6H,14H2
InChIKeyYARXZGPPCWZOEU-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

4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
4-bromo-3-pyridin-4-yloxyaniline
CID 103011740
3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
CID 103011480
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline?
The IUPAC name of 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline (CID 103011473) is 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline?
The canonical SMILES for 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline is Nc1ccc(Br)c(Oc2ccncc2Cl)c1.
What is the InChIKey of 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline?
The InChIKey is YARXZGPPCWZOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-2-1-7(14)5-11(8)16-10-3-4-15-6-9(10)13/h1-6H,14H2.
What are the key properties of 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline?
4-bromo-3-[(3-chloro-4-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 4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline is sourced from PubChem (CID 103011473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).