methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate

C10H12BrNO3 — CID 59635795

IUPACmethyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cn1ccc(Br)cc1=O
InChIInChI=1S/C10H12BrNO3/c1-7(10(14)15-2)6-12-4-3-8(11)5-9(12)13/h3-5,7H,6H2,1-2H3
InChIKeyHRVXQEQVYRMHAV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.42
Rot. Bonds3

About methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate

methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate (PubChem CID 59635795) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate
PubChem CID59635795
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cn1ccc(Br)cc1=O
InChIInChI=1S/C10H12BrNO3/c1-7(10(14)15-2)6-12-4-3-8(11)5-9(12)13/h3-5,7H,6H2,1-2H3
InChIKeyHRVXQEQVYRMHAV-UHFFFAOYSA-N
XLogP1.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate (CID 59635795) is methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate is COC(=O)C(C)Cn1ccc(Br)cc1=O.
What is the InChIKey of methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate?
The InChIKey is HRVXQEQVYRMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7(10(14)15-2)6-12-4-3-8(11)5-9(12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate?
methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate has a molecular weight of 274.11 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 59635795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).