2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline

C11H7Br2FN2O — CID 113458300

IUPAC2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1ncc(Br)cc1Br
InChIInChI=1S/C11H7Br2FN2O/c12-6-4-7(13)11(16-5-6)17-10-8(14)2-1-3-9(10)15/h1-5H,15H2
InChIKeyRVCSEPSFMYSWQM-UHFFFAOYSA-N
MW362.00 g/mol
LogP4.12
Rot. Bonds2

About 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline

2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline (PubChem CID 113458300) has the molecular formula C11H7Br2FN2O and a molecular weight of 362.00 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
PubChem CID113458300
Molecular FormulaC11H7Br2FN2O
Molecular Weight362.00 g/mol
Exact Mass359.89
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1ncc(Br)cc1Br
InChIInChI=1S/C11H7Br2FN2O/c12-6-4-7(13)11(16-5-6)17-10-8(14)2-1-3-9(10)15/h1-5H,15H2
InChIKeyRVCSEPSFMYSWQM-UHFFFAOYSA-N
XLogP4.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 54.12
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-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
3-bromo-2-[(3-fluoro-2-pyridinyl)oxy]aniline
CID 81499825
2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016399
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
3-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 104832082
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 61227895
3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
2-(3,5-difluorophenoxy)-3-fluoroaniline
CID 112740565
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline (CID 113458300) is 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline is Nc1cccc(F)c1Oc1ncc(Br)cc1Br.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline?
The InChIKey is RVCSEPSFMYSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O/c12-6-4-7(13)11(16-5-6)17-10-8(14)2-1-3-9(10)15/h1-5H,15H2.
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline?
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline has a molecular weight of 362.00 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline is sourced from PubChem (CID 113458300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).