2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride

C7H9Cl3N2 — CID 154577484

IUPAC2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride
SMILESCl.NCCc1c(Cl)cncc1Cl
InChIInChI=1S/C7H8Cl2N2.ClH/c8-6-3-11-4-7(9)5(6)1-2-10;/h3-4H,1-2,10H2;1H
InChIKeyGSQXCXGPUFBOBX-UHFFFAOYSA-N
MW227.52 g/mol
LogP2.31
Rot. Bonds2

About 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride

2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride (PubChem CID 154577484) has the molecular formula C7H9Cl3N2 and a molecular weight of 227.52 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride
PubChem CID154577484
Molecular FormulaC7H9Cl3N2
Molecular Weight227.52 g/mol
Exact Mass225.98
IUPAC Name2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride
SMILESCl.NCCc1c(Cl)cncc1Cl
InChIInChI=1S/C7H8Cl2N2.ClH/c8-6-3-11-4-7(9)5(6)1-2-10;/h3-4H,1-2,10H2;1H
InChIKeyGSQXCXGPUFBOBX-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride (CID 154577484) is 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride is Cl.NCCc1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride?
The InChIKey is GSQXCXGPUFBOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2.ClH/c8-6-3-11-4-7(9)5(6)1-2-10;/h3-4H,1-2,10H2;1H.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride?
2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride has a molecular weight of 227.52 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 154577484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).