methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate

C14H13NO3 — CID 28833817

IUPACmethyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)16/h2-9H,10H2,1H3
InChIKeyMNAKFWOGBQCNIX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.68
Rot. Bonds3

About methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate

methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate (PubChem CID 28833817) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
PubChem CID28833817
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)16/h2-9H,10H2,1H3
InChIKeyMNAKFWOGBQCNIX-UHFFFAOYSA-N
XLogP1.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate
CID 118212630
methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118213206
methyl 4-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoate
CID 61224361
methyl 4-[[2-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]benzoate
CID 79102044
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
CID 123317340
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
CID 8883336
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate (CID 28833817) is methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate is COC(=O)c1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate?
The InChIKey is MNAKFWOGBQCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)16/h2-9H,10H2,1H3.
What are the key properties of methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate?
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate has a molecular weight of 243.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate is sourced from PubChem (CID 28833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).