4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol

C10H18N2O3 — CID 18784878

IUPAC4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
SMILESCC1C(O)=C(CN)C(CO)=CN1CCO
InChIInChI=1S/C10H18N2O3/c1-7-10(15)9(4-11)8(6-14)5-12(7)2-3-13/h5,7,13-15H,2-4,6,11H2,1H3
InChIKeyXZZJLYDGBKEQMK-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.67
Rot. Bonds4

About 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol

4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol (PubChem CID 18784878) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
PubChem CID18784878
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
SMILESCC1C(O)=C(CN)C(CO)=CN1CCO
InChIInChI=1S/C10H18N2O3/c1-7-10(15)9(4-11)8(6-14)5-12(7)2-3-13/h5,7,13-15H,2-4,6,11H2,1H3
InChIKeyXZZJLYDGBKEQMK-UHFFFAOYSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol (CID 18784878) is 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol is CC1C(O)=C(CN)C(CO)=CN1CCO.
What is the InChIKey of 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The InChIKey is XZZJLYDGBKEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-10(15)9(4-11)8(6-14)5-12(7)2-3-13/h5,7,13-15H,2-4,6,11H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol has a molecular weight of 214.26 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol is sourced from PubChem (CID 18784878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).