5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine

C13H13BrN2O3 — CID 61227895

IUPAC5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
SMILESCOc1cccc(OC)c1Oc1ncc(Br)cc1N
InChIInChI=1S/C13H13BrN2O3/c1-17-10-4-3-5-11(18-2)12(10)19-13-9(15)6-8(14)7-16-13/h3-7H,15H2,1-2H3
InChIKeyZVWUICIKIIHLFJ-UHFFFAOYSA-N
MW325.16 g/mol
LogP3.24
Rot. Bonds4

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

5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine (PubChem CID 61227895) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
PubChem CID61227895
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
SMILESCOc1cccc(OC)c1Oc1ncc(Br)cc1N
InChIInChI=1S/C13H13BrN2O3/c1-17-10-4-3-5-11(18-2)12(10)19-13-9(15)6-8(14)7-16-13/h3-7H,15H2,1-2H3
InChIKeyZVWUICIKIIHLFJ-UHFFFAOYSA-N
XLogP3.24
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine (CID 61227895) is 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine is COc1cccc(OC)c1Oc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine?
The InChIKey is ZVWUICIKIIHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-17-10-4-3-5-11(18-2)12(10)19-13-9(15)6-8(14)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine?
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine has a molecular weight of 325.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine is sourced from PubChem (CID 61227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).