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

C11H8BrFN2O — CID 103589096

IUPAC3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)cc(Oc2ccc(F)cn2)c1
InChIInChI=1S/C11H8BrFN2O/c12-7-3-9(14)5-10(4-7)16-11-2-1-8(13)6-15-11/h1-6H,14H2
InChIKeyYWNWUJSRFCYCNC-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.36
Rot. Bonds2

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

3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline (PubChem CID 103589096) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline
PubChem CID103589096
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Br)cc(Oc2ccc(F)cn2)c1
InChIInChI=1S/C11H8BrFN2O/c12-7-3-9(14)5-10(4-7)16-11-2-1-8(13)6-15-11/h1-6H,14H2
InChIKeyYWNWUJSRFCYCNC-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.36
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

3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
3-bromo-5-quinoxalin-2-yloxyaniline
CID 103589192
3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline
CID 103589174
4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
CID 55036542
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
2-(3-bromo-5-fluorophenoxy)pyridine
CID 81332605
4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 61389468
3-bromo-5-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 106796476
3-bromo-5-(2,2-difluoroethoxy)aniline
CID 99770347
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
CID 103589175

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline (CID 103589096) is 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline is Nc1cc(Br)cc(Oc2ccc(F)cn2)c1.
What is the InChIKey of 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline?
The InChIKey is YWNWUJSRFCYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-7-3-9(14)5-10(4-7)16-11-2-1-8(13)6-15-11/h1-6H,14H2.
What are the key properties of 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline?
3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline has a molecular weight of 283.10 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 103589096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).