methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride

C8H11ClN2O3 — CID 154581369

IUPACmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)Cn1cc(N)ccc1=O.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-8(12)5-10-4-6(9)2-3-7(10)11;/h2-4H,5,9H2,1H3;1H
InChIKeyJOOCDJNDMXXXTD-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.03
Rot. Bonds2

About methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride

methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride (PubChem CID 154581369) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
PubChem CID154581369
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Namemethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)Cn1cc(N)ccc1=O.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-8(12)5-10-4-6(9)2-3-7(10)11;/h2-4H,5,9H2,1H3;1H
InChIKeyJOOCDJNDMXXXTD-UHFFFAOYSA-N
XLogP0.03
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The IUPAC name of methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride (CID 154581369) is methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride is COC(=O)Cn1cc(N)ccc1=O.Cl.
What is the InChIKey of methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The InChIKey is JOOCDJNDMXXXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-13-8(12)5-10-4-6(9)2-3-7(10)11;/h2-4H,5,9H2,1H3;1H.
What are the key properties of methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride has a molecular weight of 218.64 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate;hydrochloride is sourced from PubChem (CID 154581369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).