4-bromo-3-pyridin-4-yloxyaniline

C11H9BrN2O — CID 103011740

IUPAC4-bromo-3-pyridin-4-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ccncc2)c1
InChIInChI=1S/C11H9BrN2O/c12-10-2-1-8(13)7-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2
InChIKeyOPXJLZBJSUHZIL-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.22
Rot. Bonds2

About 4-bromo-3-pyridin-4-yloxyaniline

4-bromo-3-pyridin-4-yloxyaniline (PubChem CID 103011740) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-bromo-3-pyridin-4-yloxyaniline.

Molecular Properties

Compound Name4-bromo-3-pyridin-4-yloxyaniline
PubChem CID103011740
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name4-bromo-3-pyridin-4-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ccncc2)c1
InChIInChI=1S/C11H9BrN2O/c12-10-2-1-8(13)7-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2
InChIKeyOPXJLZBJSUHZIL-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.22
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-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
4-(5-amino-2-bromophenoxy)pyridine-2-carboxamide
CID 103011692
3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
CID 103011480
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
4-bromo-3-methoxyaniline;iron
CID 158491783
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
4-(2-bromo-4,5-difluorophenoxy)aniline
CID 86811267
4-bromo-3-quinolin-2-yloxyaniline
CID 103011624
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
4-bromo-3-ethoxyaniline
CID 7015503

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-pyridin-4-yloxyaniline?
The IUPAC name of 4-bromo-3-pyridin-4-yloxyaniline (CID 103011740) is 4-bromo-3-pyridin-4-yloxyaniline.
What is the SMILES notation for 4-bromo-3-pyridin-4-yloxyaniline?
The canonical SMILES for 4-bromo-3-pyridin-4-yloxyaniline is Nc1ccc(Br)c(Oc2ccncc2)c1.
What is the InChIKey of 4-bromo-3-pyridin-4-yloxyaniline?
The InChIKey is OPXJLZBJSUHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-2-1-8(13)7-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2.
What are the key properties of 4-bromo-3-pyridin-4-yloxyaniline?
4-bromo-3-pyridin-4-yloxyaniline has a molecular weight of 265.11 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-pyridin-4-yloxyaniline is sourced from PubChem (CID 103011740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).