6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride

C7H12Cl2N2O — CID 75531152

IUPAC6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCc1cccc(=O)[nH]1
InChIInChI=1S/C7H10N2O.2ClH/c8-5-4-6-2-1-3-7(10)9-6;;/h1-3H,4-5,8H2,(H,9,10);2*1H
InChIKeyVOVQWWXTTAEBAA-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.72
Rot. Bonds2

About 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride

6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride (PubChem CID 75531152) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
PubChem CID75531152
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCc1cccc(=O)[nH]1
InChIInChI=1S/C7H10N2O.2ClH/c8-5-4-6-2-1-3-7(10)9-6;;/h1-3H,4-5,8H2,(H,9,10);2*1H
InChIKeyVOVQWWXTTAEBAA-UHFFFAOYSA-N
XLogP0.72
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride (CID 75531152) is 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride is Cl.Cl.NCCc1cccc(=O)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The InChIKey is VOVQWWXTTAEBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-5-4-6-2-1-3-7(10)9-6;;/h1-3H,4-5,8H2,(H,9,10);2*1H.
What are the key properties of 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 75531152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).