2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride

C7H9Cl3N2O — CID 71756220

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H8Cl2N2O.ClH/c8-5-3-6(9)7(11-4-5)12-2-1-10;/h3-4H,1-2,10H2;1H
InChIKeyQREGKCFZSMCZAT-UHFFFAOYSA-N
MW243.52 g/mol
LogP2.15
Rot. Bonds3

About 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride

2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride (PubChem CID 71756220) has the molecular formula C7H9Cl3N2O and a molecular weight of 243.52 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride
PubChem CID71756220
Molecular FormulaC7H9Cl3N2O
Molecular Weight243.52 g/mol
Exact Mass241.98
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H8Cl2N2O.ClH/c8-5-3-6(9)7(11-4-5)12-2-1-10;/h3-4H,1-2,10H2;1H
InChIKeyQREGKCFZSMCZAT-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride (CID 71756220) is 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride is Cl.NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The InChIKey is QREGKCFZSMCZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O.ClH/c8-5-3-6(9)7(11-4-5)12-2-1-10;/h3-4H,1-2,10H2;1H.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride?
2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride has a molecular weight of 243.52 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 71756220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).