methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate

C11H15NO4 — CID 91360699

IUPACmethyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1C(C)(C)CO
InChIInChI=1S/C11H15NO4/c1-11(2,6-13)9-7(10(15)16-3)4-5-8(14)12-9/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKeyJMVFZLKKZIYOOP-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.43
Rot. Bonds3

About methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate

methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 91360699) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID91360699
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1C(C)(C)CO
InChIInChI=1S/C11H15NO4/c1-11(2,6-13)9-7(10(15)16-3)4-5-8(14)12-9/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKeyJMVFZLKKZIYOOP-UHFFFAOYSA-N
XLogP0.43
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]amino]methyl]benzoate
CID 141390027
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 18324387
methyl 6-(2,2-dimethylpropyl)-2-oxo-1H-pyridine-3-carboxylate
CID 23455346
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 6-oxo-5H-1,5-naphthyridine-4-carboxylate
CID 146599592
3,3-difluorobutan-1-ol;methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate;methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate
CID 164993694
methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
CID 59398050
methyl 3,5-dibromo-2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81412150
methyl 6-oxo-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]-1H-pyridine-3-carboxylate
CID 87515064
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
2,3-dimethylbutane-2,3-diol;(2-methoxycarbonylphenyl)boronic acid
CID 175026663

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate (CID 91360699) is methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1C(C)(C)CO.
What is the InChIKey of methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is JMVFZLKKZIYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,6-13)9-7(10(15)16-3)4-5-8(14)12-9/h4-5,13H,6H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 91360699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).