3-[(3-bromo-2-pyridinyl)oxy]aniline

C11H9BrN2O — CID 61372982

IUPAC3-[(3-bromo-2-pyridinyl)oxy]aniline
SMILESNc1cccc(Oc2ncccc2Br)c1
InChIInChI=1S/C11H9BrN2O/c12-10-5-2-6-14-11(10)15-9-4-1-3-8(13)7-9/h1-7H,13H2
InChIKeySFPGRPASFNRGRY-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.22
Rot. Bonds2

About 3-[(3-bromo-2-pyridinyl)oxy]aniline

3-[(3-bromo-2-pyridinyl)oxy]aniline (PubChem CID 61372982) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)oxy]aniline
PubChem CID61372982
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name3-[(3-bromo-2-pyridinyl)oxy]aniline
SMILESNc1cccc(Oc2ncccc2Br)c1
InChIInChI=1S/C11H9BrN2O/c12-10-5-2-6-14-11(10)15-9-4-1-3-8(13)7-9/h1-7H,13H2
InChIKeySFPGRPASFNRGRY-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

3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 160748973
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline
CID 172784310
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-bromo-2-[(3-fluoro-2-pyridinyl)oxy]aniline
CID 81499825

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]aniline (CID 61372982) is 3-[(3-bromo-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)oxy]aniline is Nc1cccc(Oc2ncccc2Br)c1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)oxy]aniline?
The InChIKey is SFPGRPASFNRGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-5-2-6-14-11(10)15-9-4-1-3-8(13)7-9/h1-7H,13H2.
What are the key properties of 3-[(3-bromo-2-pyridinyl)oxy]aniline?
3-[(3-bromo-2-pyridinyl)oxy]aniline 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 3-[(3-bromo-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 61372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).