5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline

C11H7BrClFN2O — CID 79727544

IUPAC5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C11H7BrClFN2O/c12-6-1-2-10(9(15)3-6)17-11-8(14)4-7(13)5-16-11/h1-5H,15H2
InChIKeyCLLZRHFERFOOFB-UHFFFAOYSA-N
MW317.55 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline

5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline (PubChem CID 79727544) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
PubChem CID79727544
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C11H7BrClFN2O/c12-6-1-2-10(9(15)3-6)17-11-8(14)4-7(13)5-16-11/h1-5H,15H2
InChIKeyCLLZRHFERFOOFB-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-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The IUPAC name of 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline (CID 79727544) is 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline is Nc1cc(Br)ccc1Oc1ncc(Cl)cc1F.
What is the InChIKey of 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The InChIKey is CLLZRHFERFOOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-6-1-2-10(9(15)3-6)17-11-8(14)4-7(13)5-16-11/h1-5H,15H2.
What are the key properties of 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline 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 5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 79727544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).