methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate

C15H13NO5 — CID 59600568

IUPACmethyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C=O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C15H13NO5/c1-20-15(19)11-7-16-12(8-17)14(13(11)18)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,18)
InChIKeyVSIWILTWGMITHG-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.55
Rot. Bonds5

About methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate

methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate (PubChem CID 59600568) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
PubChem CID59600568
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C=O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C15H13NO5/c1-20-15(19)11-7-16-12(8-17)14(13(11)18)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,18)
InChIKeyVSIWILTWGMITHG-UHFFFAOYSA-N
XLogP1.55
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 88863108
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232
5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 129129992
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954
methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
CID 130410671
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
CID 67945020

Frequently Asked Questions

What is the IUPAC name of methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate (CID 59600568) is methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(C=O)c(OCc2ccccc2)c1=O.
What is the InChIKey of methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate?
The InChIKey is VSIWILTWGMITHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15(19)11-7-16-12(8-17)14(13(11)18)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate?
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate is sourced from PubChem (CID 59600568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).