1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride

C8H13ClN2O2 — CID 10330568

IUPAC1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
SMILESCc1c(O)c(=O)ccn1CCN.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-8(12)7(11)2-4-10(6)5-3-9;/h2,4,12H,3,5,9H2,1H3;1H
InChIKeySRYUCYQTMLLFAO-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.24
Rot. Bonds2

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

1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride (PubChem CID 10330568) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
PubChem CID10330568
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
SMILESCc1c(O)c(=O)ccn1CCN.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-8(12)7(11)2-4-10(6)5-3-9;/h2,4,12H,3,5,9H2,1H3;1H
InChIKeySRYUCYQTMLLFAO-UHFFFAOYSA-N
XLogP0.24
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.24
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-hydroxy-2-methylpyridin-4-one;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride (CID 10330568) is 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride is Cc1c(O)c(=O)ccn1CCN.Cl.
What is the InChIKey of 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
The InChIKey is SRYUCYQTMLLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-6-8(12)7(11)2-4-10(6)5-3-9;/h2,4,12H,3,5,9H2,1H3;1H.
What are the key properties of 1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
1-(2-aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.24, 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-hydroxy-2-methylpyridin-4-one;hydrochloride is sourced from PubChem (CID 10330568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).