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

C11H20N2O2 — CID 144604155

IUPACethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
SMILESCC.CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O2.C2H6/c1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-2/h3,10,12-13H,4-5H2,1-2H3;1-2H3
InChIKeyJVCTWXZTSCNQAR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.33
Rot. Bonds3

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

ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol (PubChem CID 144604155) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol.

Molecular Properties

Compound Nameethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
PubChem CID144604155
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
SMILESCC.CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O2.C2H6/c1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-2/h3,10,12-13H,4-5H2,1-2H3;1-2H3
InChIKeyJVCTWXZTSCNQAR-UHFFFAOYSA-N
XLogP1.33
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The IUPAC name of ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol (CID 144604155) is ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol.
What is the SMILES notation for ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The canonical SMILES for ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol is CC.CNCc1c(CO)cnc(C)c1O.
What is the InChIKey of ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
The InChIKey is JVCTWXZTSCNQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C2H6/c1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-2/h3,10,12-13H,4-5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol?
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol has a molecular weight of 212.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol is sourced from PubChem (CID 144604155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).