4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C10H16N2O3 — CID 54137000

IUPAC4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCO)c1O
InChIInChI=1S/C10H16N2O3/c1-7-10(15)9(5-11-2-3-13)8(6-14)4-12-7/h4,11,13-15H,2-3,5-6H2,1H3
InChIKeyNYKQSSCDTUXEHT-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.33
Rot. Bonds5

About 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 54137000) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID54137000
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCO)c1O
InChIInChI=1S/C10H16N2O3/c1-7-10(15)9(5-11-2-3-13)8(6-14)4-12-7/h4,11,13-15H,2-3,5-6H2,1H3
InChIKeyNYKQSSCDTUXEHT-UHFFFAOYSA-N
XLogP-0.33
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 54137000) is 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNCCO)c1O.
What is the InChIKey of 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NYKQSSCDTUXEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-10(15)9(5-11-2-3-13)8(6-14)4-12-7/h4,11,13-15H,2-3,5-6H2,1H3.
What are the key properties of 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 212.25 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 54137000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).