5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine

C11H7BrF2N2O — CID 79535561

IUPAC5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine
SMILESNc1cnc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C11H7BrF2N2O/c12-8-4-7(15)5-16-11(8)17-10-2-1-6(13)3-9(10)14/h1-5H,15H2
InChIKeyLTJYLFFZTOZJRG-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.50
Rot. Bonds2

About 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine

5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine (PubChem CID 79535561) has the molecular formula C11H7BrF2N2O and a molecular weight of 301.09 g/mol. Its IUPAC name is 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine
PubChem CID79535561
Molecular FormulaC11H7BrF2N2O
Molecular Weight301.09 g/mol
Exact Mass299.97
IUPAC Name5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine
SMILESNc1cnc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C11H7BrF2N2O/c12-8-4-7(15)5-16-11(8)17-10-2-1-6(13)3-9(10)14/h1-5H,15H2
InChIKeyLTJYLFFZTOZJRG-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine (CID 79535561) is 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine is Nc1cnc(Oc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine?
The InChIKey is LTJYLFFZTOZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O/c12-8-4-7(15)5-16-11(8)17-10-2-1-6(13)3-9(10)14/h1-5H,15H2.
What are the key properties of 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine?
5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine has a molecular weight of 301.09 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,4-difluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 79535561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).