2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride

C9H13BrCl2N2O — CID 122236370

IUPAC2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC1c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O.2ClH/c10-7-3-6(4-12-5-7)9-8(11)1-2-13-9;;/h3-5,8-9H,1-2,11H2;2*1H
InChIKeyNALDJMPAIXEKTF-UHFFFAOYSA-N
MW316.03 g/mol
LogP2.48
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride

2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride (PubChem CID 122236370) has the molecular formula C9H13BrCl2N2O and a molecular weight of 316.03 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride
PubChem CID122236370
Molecular FormulaC9H13BrCl2N2O
Molecular Weight316.03 g/mol
Exact Mass313.96
IUPAC Name2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC1c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O.2ClH/c10-7-3-6(4-12-5-7)9-8(11)1-2-13-9;;/h3-5,8-9H,1-2,11H2;2*1H
InChIKeyNALDJMPAIXEKTF-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride?
The IUPAC name of 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride (CID 122236370) is 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride is Cl.Cl.NC1CCOC1c1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride?
The InChIKey is NALDJMPAIXEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.2ClH/c10-7-3-6(4-12-5-7)9-8(11)1-2-13-9;;/h3-5,8-9H,1-2,11H2;2*1H.
What are the key properties of 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride?
2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride has a molecular weight of 316.03 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122236370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).