1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride

C7H11ClN2O2 — CID 167995945

IUPAC1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride
SMILESCl.NCCn1ccc(=O)c(O)c1
InChIInChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(10)7(11)5-9;/h1,3,5,11H,2,4,8H2;1H
InChIKeyHRTXJFNVSVXNSX-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.07
Rot. Bonds2

About 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride

1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride (PubChem CID 167995945) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride
PubChem CID167995945
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride
SMILESCl.NCCn1ccc(=O)c(O)c1
InChIInChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(10)7(11)5-9;/h1,3,5,11H,2,4,8H2;1H
InChIKeyHRTXJFNVSVXNSX-UHFFFAOYSA-N
XLogP-0.07
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride (CID 167995945) is 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride is Cl.NCCn1ccc(=O)c(O)c1.
What is the InChIKey of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride?
The InChIKey is HRTXJFNVSVXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(10)7(11)5-9;/h1,3,5,11H,2,4,8H2;1H.
What are the key properties of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride?
1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;hydrochloride is sourced from PubChem (CID 167995945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).