methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride

C9H12ClNO4 — CID 2726370

IUPACmethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride
SMILESCOC(=O)COc1c(C)[nH]ccc1=O.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H
InChIKeyHUXWYIMDLCCNRT-UHFFFAOYSA-N
MW233.65 g/mol
LogP0.66
Rot. Bonds3

About methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride

methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride (PubChem CID 2726370) has the molecular formula C9H12ClNO4 and a molecular weight of 233.65 g/mol. Its IUPAC name is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride
PubChem CID2726370
Molecular FormulaC9H12ClNO4
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride
SMILESCOC(=O)COc1c(C)[nH]ccc1=O.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H
InChIKeyHUXWYIMDLCCNRT-UHFFFAOYSA-N
XLogP0.66
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride (CID 2726370) is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride is COC(=O)COc1c(C)[nH]ccc1=O.Cl.
What is the InChIKey of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride?
The InChIKey is HUXWYIMDLCCNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H.
What are the key properties of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride?
methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride is sourced from PubChem (CID 2726370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).