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

C10H13BrN2O3 — CID 103961869

IUPACmethyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-16-9(14)3-2-4-13-5-7(11)10(15)8(12)6-13/h5-6H,2-4,12H2,1H3
InChIKeySWZKLCVSAOBJQL-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.15
Rot. Bonds4

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

methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate (PubChem CID 103961869) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate
PubChem CID103961869
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Namemethyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-16-9(14)3-2-4-13-5-7(11)10(15)8(12)6-13/h5-6H,2-4,12H2,1H3
InChIKeySWZKLCVSAOBJQL-UHFFFAOYSA-N
XLogP1.15
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate?
The IUPAC name of methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate (CID 103961869) is methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate is COC(=O)CCCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate?
The InChIKey is SWZKLCVSAOBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-16-9(14)3-2-4-13-5-7(11)10(15)8(12)6-13/h5-6H,2-4,12H2,1H3.
What are the key properties of methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate?
methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate has a molecular weight of 289.13 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 103961869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).