methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate

C8H9BrN2O3 — CID 103962018

IUPACmethyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C8H9BrN2O3/c1-14-7(12)4-11-2-5(9)8(13)6(10)3-11/h2-3H,4,10H2,1H3
InChIKeyVWSNFPYAUMKXMW-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.37
Rot. Bonds2

About methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate

methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate (PubChem CID 103962018) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate
PubChem CID103962018
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Namemethyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C8H9BrN2O3/c1-14-7(12)4-11-2-5(9)8(13)6(10)3-11/h2-3H,4,10H2,1H3
InChIKeyVWSNFPYAUMKXMW-UHFFFAOYSA-N
XLogP0.37
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.37
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-5-bromo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate (CID 103962018) is methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate is COC(=O)Cn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate?
The InChIKey is VWSNFPYAUMKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-14-7(12)4-11-2-5(9)8(13)6(10)3-11/h2-3H,4,10H2,1H3.
What are the key properties of methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetate has a molecular weight of 261.07 g/mol, XLogP of 0.37, 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-5-bromo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 103962018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).