3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride

C8H10BrClN2O — CID 155977969

IUPAC3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(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
LogP1.45
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride

3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride (PubChem CID 155977969) 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-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride
PubChem CID155977969
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(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
XLogP1.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride (CID 155977969) is 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ccc(Br)cn2)COC1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride?
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-amine;hydrochloride?
3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride has a molecular weight of 265.54 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 155977969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).