5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline

C11H6Br2ClFN2O — CID 103483716

IUPAC5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C11H6Br2ClFN2O/c12-6-2-9(16)10(3-8(6)15)18-11-7(13)1-5(14)4-17-11/h1-4H,16H2
InChIKeyUBVAMZBCPNNGKI-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.77
Rot. Bonds2

About 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline

5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline (PubChem CID 103483716) has the molecular formula C11H6Br2ClFN2O and a molecular weight of 396.44 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
PubChem CID103483716
Molecular FormulaC11H6Br2ClFN2O
Molecular Weight396.44 g/mol
Exact Mass393.85
IUPAC Name5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C11H6Br2ClFN2O/c12-6-2-9(16)10(3-8(6)15)18-11-7(13)1-5(14)4-17-11/h1-4H,16H2
InChIKeyUBVAMZBCPNNGKI-UHFFFAOYSA-N
XLogP4.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.77
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-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline
CID 107875013
5-amino-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzonitrile
CID 114836190
5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
CID 103483890
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 114837675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline (CID 103483716) is 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline is Nc1cc(Br)c(F)cc1Oc1ncc(Cl)cc1Br.
What is the InChIKey of 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline?
The InChIKey is UBVAMZBCPNNGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFN2O/c12-6-2-9(16)10(3-8(6)15)18-11-7(13)1-5(14)4-17-11/h1-4H,16H2.
What are the key properties of 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline?
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline has a molecular weight of 396.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline is sourced from PubChem (CID 103483716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).