[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride

C8H10BrClN2O — CID 86695467

IUPAC[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride
SMILES[Cl-].[NH3+]C1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H9BrN2O.ClH/c9-6-1-2-7(11-3-6)8(10)4-12-5-8;/h1-3H,4-5,10H2;1H
InChIKeyDVGFVXGLCHUXMZ-UHFFFAOYSA-N
MW265.54 g/mol
LogP-2.68
Rot. Bonds1

About [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride

[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride (PubChem CID 86695467) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride.

Molecular Properties

Compound Name[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride
PubChem CID86695467
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride
SMILES[Cl-].[NH3+]C1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H9BrN2O.ClH/c9-6-1-2-7(11-3-6)8(10)4-12-5-8;/h1-3H,4-5,10H2;1H
InChIKeyDVGFVXGLCHUXMZ-UHFFFAOYSA-N
XLogP-2.68
TPSA49.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride?
The IUPAC name of [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride (CID 86695467) is [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride.
What is the SMILES notation for [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride?
The canonical SMILES for [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride is [Cl-].[NH3+]C1(c2ccc(Br)cn2)COC1.
What is the InChIKey of [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride?
The InChIKey is DVGFVXGLCHUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O.ClH/c9-6-1-2-7(11-3-6)8(10)4-12-5-8;/h1-3H,4-5,10H2;1H.
What are the key properties of [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride?
[3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride has a molecular weight of 265.54 g/mol, XLogP of -2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-pyridinyl)oxetan-3-yl]azanium chloride is sourced from PubChem (CID 86695467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).