2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol

C11H8BrFN2O2 — CID 114047343

IUPAC2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
SMILESNc1c(O)cccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C11H8BrFN2O2/c12-6-4-7(13)11(15-5-6)17-9-3-1-2-8(16)10(9)14/h1-5,16H,14H2
InChIKeyOXIOQCXZZBWCAU-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.06
Rot. Bonds2

About 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol

2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol (PubChem CID 114047343) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
PubChem CID114047343
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
SMILESNc1c(O)cccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C11H8BrFN2O2/c12-6-4-7(13)11(15-5-6)17-9-3-1-2-8(16)10(9)14/h1-5,16H,14H2
InChIKeyOXIOQCXZZBWCAU-UHFFFAOYSA-N
XLogP3.06
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine
CID 114047816
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
CID 112676280
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016399
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 167646824
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 61227895
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol?
The IUPAC name of 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol (CID 114047343) is 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol is Nc1c(O)cccc1Oc1ncc(Br)cc1F.
What is the InChIKey of 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol?
The InChIKey is OXIOQCXZZBWCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-6-4-7(13)11(15-5-6)17-9-3-1-2-8(16)10(9)14/h1-5,16H,14H2.
What are the key properties of 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol?
2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol has a molecular weight of 299.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 114047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).