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

C11H7BrClFN2O — CID 114089160

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C11H7BrClFN2O/c12-6-1-7(5-16-4-6)17-11-2-8(13)9(14)3-10(11)15/h1-5H,15H2
InChIKeyYTWOMIUTRPQRGF-UHFFFAOYSA-N
MW317.55 g/mol
LogP4.01
Rot. Bonds2

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

2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline (PubChem CID 114089160) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
PubChem CID114089160
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C11H7BrClFN2O/c12-6-1-7(5-16-4-6)17-11-2-8(13)9(14)3-10(11)15/h1-5H,15H2
InChIKeyYTWOMIUTRPQRGF-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 54.01
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

2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
CID 115469300
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
(1R)-1-[4-[(5-bromo-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 78962755
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
CID 104835429
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403
3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
CID 113497399

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline (CID 114089160) is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline is Nc1cc(F)c(Cl)cc1Oc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline?
The InChIKey is YTWOMIUTRPQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-6-1-7(5-16-4-6)17-11-2-8(13)9(14)3-10(11)15/h1-5H,15H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline?
2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline has a molecular weight of 317.55 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline is sourced from PubChem (CID 114089160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).