5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol

C9H14N2O2 — CID 20623944

IUPAC5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
SMILESCNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O2/c1-6-9(13)8(4-10-2)7(5-12)3-11-6/h3,10,12-13H,4-5H2,1-2H3
InChIKeyPVYLCYDJIUBXHE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.31
Rot. Bonds3

About 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol (PubChem CID 20623944) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
PubChem CID20623944
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
SMILESCNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O2/c1-6-9(13)8(4-10-2)7(5-12)3-11-6/h3,10,12-13H,4-5H2,1-2H3
InChIKeyPVYLCYDJIUBXHE-UHFFFAOYSA-N
XLogP0.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol (CID 20623944) is 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol is CNCc1c(CO)cnc(C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The InChIKey is PVYLCYDJIUBXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-9(13)8(4-10-2)7(5-12)3-11-6/h3,10,12-13H,4-5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol has a molecular weight of 182.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol is sourced from PubChem (CID 20623944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).