(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate

C19H13NO4 — CID 2572020

IUPAC(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H13NO4/c21-17-11-8-15(12-20-17)19(23)24-16-9-6-14(7-10-16)18(22)13-4-2-1-3-5-13/h1-12H,(H,20,21)
InChIKeyFLHZIIPKLVMWJK-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.83
Rot. Bonds4

About (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate

(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 2572020) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate
PubChem CID2572020
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H13NO4/c21-17-11-8-15(12-20-17)19(23)24-16-9-6-14(7-10-16)18(22)13-4-2-1-3-5-13/h1-12H,(H,20,21)
InChIKeyFLHZIIPKLVMWJK-UHFFFAOYSA-N
XLogP2.83
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 6-oxo-1H-pyridine-3-carboxylate
CID 4798350
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
(4-benzoylphenyl) 2-aminoacetate
CID 174837870
diphenyl 2-benzoylbenzene-1,4-dicarboxylate
CID 71318917
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate (CID 2572020) is (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate is O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FLHZIIPKLVMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-17-11-8-15(12-20-17)19(23)24-16-9-6-14(7-10-16)18(22)13-4-2-1-3-5-13/h1-12H,(H,20,21).
What are the key properties of (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate?
(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2572020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).