5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine

C9H11BrN2O2 — CID 79535032

IUPAC5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
SMILESNc1cnc(OC2CCOC2)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-8-3-6(11)4-12-9(8)14-7-1-2-13-5-7/h3-4,7H,1-2,5,11H2
InChIKeyGITMSRGPFUUVHV-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.59
Rot. Bonds2

About 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine

5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine (PubChem CID 79535032) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
PubChem CID79535032
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
SMILESNc1cnc(OC2CCOC2)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-8-3-6(11)4-12-9(8)14-7-1-2-13-5-7/h3-4,7H,1-2,5,11H2
InChIKeyGITMSRGPFUUVHV-UHFFFAOYSA-N
XLogP1.59
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine (CID 79535032) is 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine is Nc1cnc(OC2CCOC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine?
The InChIKey is GITMSRGPFUUVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-3-6(11)4-12-9(8)14-7-1-2-13-5-7/h3-4,7H,1-2,5,11H2.
What are the key properties of 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine?
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine has a molecular weight of 259.10 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine is sourced from PubChem (CID 79535032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).