2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline

C13H9BrN2O2 — CID 90134289

IUPAC2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline
SMILESNc1cc(Oc2nccc3occc23)ccc1Br
InChIInChI=1S/C13H9BrN2O2/c14-10-2-1-8(7-11(10)15)18-13-9-4-6-17-12(9)3-5-16-13/h1-7H,15H2
InChIKeyPQIJJPYQEYEBQT-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.96
Rot. Bonds2

About 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline

2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline (PubChem CID 90134289) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline.

Molecular Properties

Compound Name2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline
PubChem CID90134289
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline
SMILESNc1cc(Oc2nccc3occc23)ccc1Br
InChIInChI=1S/C13H9BrN2O2/c14-10-2-1-8(7-11(10)15)18-13-9-4-6-17-12(9)3-5-16-13/h1-7H,15H2
InChIKeyPQIJJPYQEYEBQT-UHFFFAOYSA-N
XLogP3.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline?
The IUPAC name of 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline (CID 90134289) is 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline.
What is the SMILES notation for 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline?
The canonical SMILES for 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline is Nc1cc(Oc2nccc3occc23)ccc1Br.
What is the InChIKey of 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline?
The InChIKey is PQIJJPYQEYEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-10-2-1-8(7-11(10)15)18-13-9-4-6-17-12(9)3-5-16-13/h1-7H,15H2.
What are the key properties of 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline?
2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline has a molecular weight of 305.13 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline is sourced from PubChem (CID 90134289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).