methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate

C11H14BrNO4 — CID 83131109

IUPACmethyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H14BrNO4/c1-7-4-8(12)5-13(9(7)14)6-11(2,16)10(15)17-3/h4-5,16H,6H2,1-3H3
InChIKeyLQRAZWUBQHVPPX-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.84
Rot. Bonds3

About methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate

methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate (PubChem CID 83131109) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate
PubChem CID83131109
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Namemethyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H14BrNO4/c1-7-4-8(12)5-13(9(7)14)6-11(2,16)10(15)17-3/h4-5,16H,6H2,1-3H3
InChIKeyLQRAZWUBQHVPPX-UHFFFAOYSA-N
XLogP0.84
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
methyl 3-(5-bromo-6-oxopyrimidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 66309961
methyl 3-(4-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoate
CID 104643651
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
CID 83133573
5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide
CID 83133907
3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 83133302
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate
CID 80580588
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
methyl 5-bromo-2-oxo-1-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxylate
CID 165416862

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate (CID 83131109) is methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)Cn1cc(Br)cc(C)c1=O.
What is the InChIKey of methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate?
The InChIKey is LQRAZWUBQHVPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-7-4-8(12)5-13(9(7)14)6-11(2,16)10(15)17-3/h4-5,16H,6H2,1-3H3.
What are the key properties of methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate?
methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate has a molecular weight of 304.14 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 83131109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).