methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate

C14H13NO6 — CID 11000794

IUPACmethyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C(O)(c2ccccc2)NC1=O
InChIInChI=1S/C14H13NO6/c1-20-10-9(13(18)21-2)12(17)15-14(19,11(10)16)8-6-4-3-5-7-8/h3-7,19H,1-2H3,(H,15,17)
InChIKeyMSGFIOBSFRPAGT-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.40
Rot. Bonds3

About methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate

methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 11000794) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID11000794
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Namemethyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C(O)(c2ccccc2)NC1=O
InChIInChI=1S/C14H13NO6/c1-20-10-9(13(18)21-2)12(17)15-14(19,11(10)16)8-6-4-3-5-7-8/h3-7,19H,1-2H3,(H,15,17)
InChIKeyMSGFIOBSFRPAGT-UHFFFAOYSA-N
XLogP-0.40
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-[(1-hydroxy-2-oxo-1,2-diphenylethyl)amino]-3-oxopropanoate
CID 69587878
(3S)-3-acetamido-3-hydroxy-3-phenylpropanoic acid
CID 140852798
3-Hydroxy-3-phenyl-3-(propanoylamino)propanoic acid
CID 174212166
methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate
CID 10871630
methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10958546
6-hydroxy-4-methoxy-6-phenyl-1H-pyridine-2,5-dione
CID 10966399
(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
CID 11044004
methyl 4-hexyl-2-methoxy-5-oxo-2-phenyl-1H-pyrrole-3-carboxylate
CID 101948440

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate (CID 11000794) is methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate is COC(=O)C1=C(OC)C(=O)C(O)(c2ccccc2)NC1=O.
What is the InChIKey of methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is MSGFIOBSFRPAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-20-10-9(13(18)21-2)12(17)15-14(19,11(10)16)8-6-4-3-5-7-8/h3-7,19H,1-2H3,(H,15,17).
What are the key properties of methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 291.26 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 11000794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).