5-bromo-2-pyridin-3-yloxyaniline

C11H9BrN2O — CID 26190498

IUPAC5-bromo-2-pyridin-3-yloxyaniline
SMILESNc1cc(Br)ccc1Oc1cccnc1
InChIInChI=1S/C11H9BrN2O/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h1-7H,13H2
InChIKeyLNZSCDJZSATFDE-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-2-pyridin-3-yloxyaniline

5-bromo-2-pyridin-3-yloxyaniline (PubChem CID 26190498) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-2-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name5-bromo-2-pyridin-3-yloxyaniline
PubChem CID26190498
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-2-pyridin-3-yloxyaniline
SMILESNc1cc(Br)ccc1Oc1cccnc1
InChIInChI=1S/C11H9BrN2O/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h1-7H,13H2
InChIKeyLNZSCDJZSATFDE-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

5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
CID 68851049
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-3-yloxyaniline?
The IUPAC name of 5-bromo-2-pyridin-3-yloxyaniline (CID 26190498) is 5-bromo-2-pyridin-3-yloxyaniline.
What is the SMILES notation for 5-bromo-2-pyridin-3-yloxyaniline?
The canonical SMILES for 5-bromo-2-pyridin-3-yloxyaniline is Nc1cc(Br)ccc1Oc1cccnc1.
What is the InChIKey of 5-bromo-2-pyridin-3-yloxyaniline?
The InChIKey is LNZSCDJZSATFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h1-7H,13H2.
What are the key properties of 5-bromo-2-pyridin-3-yloxyaniline?
5-bromo-2-pyridin-3-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 5-bromo-2-pyridin-3-yloxyaniline is sourced from PubChem (CID 26190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).