tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C10H13NO4 — CID 59419963

IUPACtert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H13NO4/c1-10(2,3)15-9(14)6-4-7(12)11-8(13)5-6/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyUFWSDGAGMOELRS-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.04
Rot. Bonds1

About tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 59419963) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID59419963
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nametert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H13NO4/c1-10(2,3)15-9(14)6-4-7(12)11-8(13)5-6/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyUFWSDGAGMOELRS-UHFFFAOYSA-N
XLogP1.04
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58288787
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CID 89330875
tert-butyl 3,5-difluoro-4-hydroxybenzoate
CID 66762061
tert-butyl 3,5-dibromo-4-methylbenzoate
CID 118703544
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 3-hydroxy-5-(trifluoromethoxy)benzoate
CID 172648442
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
tert-butyl 5-methylthiophene-3-carboxylate
CID 101043264
tert-butyl 3-bromo-5-(1-fluoroethenyl)benzoate
CID 155586673
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 79667981
tert-butyl 4-ethenyl-3-hydroxybenzoate
CID 66624692

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 59419963) is tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is CC(C)(C)OC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is UFWSDGAGMOELRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(2,3)15-9(14)6-4-7(12)11-8(13)5-6/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 59419963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).