methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride

C8H11ClN2O3 — CID 138585376

IUPACmethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)Cn1cccc(N)c1=O.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-7(11)5-10-4-2-3-6(9)8(10)12;/h2-4H,5,9H2,1H3;1H
InChIKeyDVWASLBEFBLDNF-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.03
Rot. Bonds2

About methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride

methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride (PubChem CID 138585376) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
PubChem CID138585376
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)Cn1cccc(N)c1=O.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-7(11)5-10-4-2-3-6(9)8(10)12;/h2-4H,5,9H2,1H3;1H
InChIKeyDVWASLBEFBLDNF-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-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride (CID 138585376) is methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride is COC(=O)Cn1cccc(N)c1=O.Cl.
What is the InChIKey of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
The InChIKey is DVWASLBEFBLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-13-7(11)5-10-4-2-3-6(9)8(10)12;/h2-4H,5,9H2,1H3;1H.
What are the key properties of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride?
methyl 2-(3-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-(3-amino-2-oxo-1-pyridinyl)acetate;hydrochloride is sourced from PubChem (CID 138585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).