2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol

C12H18N2O2 — CID 115883207

IUPAC2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
SMILESC=CCN(CCO)Cc1nc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)9-11-12(16)5-4-10(2)13-11/h3-5,15-16H,1,6-9H2,2H3
InChIKeyKHBOPAFNLNUIAF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds6

About 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol

2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 115883207) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID115883207
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
SMILESC=CCN(CCO)Cc1nc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)9-11-12(16)5-4-10(2)13-11/h3-5,15-16H,1,6-9H2,2H3
InChIKeyKHBOPAFNLNUIAF-UHFFFAOYSA-N
XLogP1.08
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pirbuterol
CID 4845
6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
2-Methyl-5-hydroxypyridine
CID 14275
3-Hydroxy-2-hydroxymethyl-6-methylpyridine
CID 135128
3-Hydroxypyridine-2-methanol
CID 84169
2-Methylpyridin-3-ol
CID 70719
2-(1-Piperidinylmethyl)-3-pyridinol
CID 96480
Pirbuterol monohydrochloride
CID 3061720
2-((Dimethylamino)methyl)pyridin-3-ol
CID 75108
Mls002693808
CID 251943
3-Hydroxy-2-(morpholinomethyl)-pyridine
CID 251938

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol (CID 115883207) is 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol is C=CCN(CCO)Cc1nc(C)ccc1O.
What is the InChIKey of 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is KHBOPAFNLNUIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)9-11-12(16)5-4-10(2)13-11/h3-5,15-16H,1,6-9H2,2H3.
What are the key properties of 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 115883207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).