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

C8H9BrN2O2 — CID 102605464

IUPAC5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine
SMILESNc1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C8H9BrN2O2/c9-7-1-5(10)2-11-8(7)13-6-3-12-4-6/h1-2,6H,3-4,10H2
InChIKeyPXBOSJHIDVHOPE-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.20
Rot. Bonds2

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

5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine (PubChem CID 102605464) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine
PubChem CID102605464
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine
SMILESNc1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C8H9BrN2O2/c9-7-1-5(10)2-11-8(7)13-6-3-12-4-6/h1-2,6H,3-4,10H2
InChIKeyPXBOSJHIDVHOPE-UHFFFAOYSA-N
XLogP1.20
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine (CID 102605464) is 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine is Nc1cnc(OC2COC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine?
The InChIKey is PXBOSJHIDVHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-7-1-5(10)2-11-8(7)13-6-3-12-4-6/h1-2,6H,3-4,10H2.
What are the key properties of 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine?
5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine has a molecular weight of 245.08 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine is sourced from PubChem (CID 102605464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).