methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate

C15H14FNO4 — CID 54679651

IUPACmethyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO4/c1-21-14(19)8-12-13(18)6-7-17(15(12)20)9-10-2-4-11(16)5-3-10/h2-7,18H,8-9H2,1H3
InChIKeyLEDWEUZVDLRLEI-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate

methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate (PubChem CID 54679651) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
PubChem CID54679651
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO4/c1-21-14(19)8-12-13(18)6-7-17(15(12)20)9-10-2-4-11(16)5-3-10/h2-7,18H,8-9H2,1H3
InChIKeyLEDWEUZVDLRLEI-UHFFFAOYSA-N
XLogP1.46
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(4-hydroxy-2-oxo-1-phenethyl-1,2-dihydro-3-pyridinyl)acetate
CID 54687871
Methyl 2-{4-hydroxy-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinyl}acetate
CID 54675993
Ethyl 1-benzyl-5-hydroxy-2-oxo-1,2,3,6-tetrahydropyridine-4-carboxylate
CID 59575769
1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896680
1-(2-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896681
1-(3-fluorobenzyl)-4-hydroxypyridin-2(1H)-one
CID 54724162
1-[(4-Fluorophenyl)methyl]-4-hydroxypyridin-2-one
CID 66692387
4-[2-(4-Fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid
CID 67708892
Ethyl 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoate
CID 67709052
4-[(3-Fluorophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 28801993
1-(3-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 29781247
4-[Ethyl-[(2-fluorophenyl)methyl]amino]-4-oxobutanoic acid
CID 39356232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate (CID 54679651) is methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate is COC(=O)Cc1c(O)ccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The InChIKey is LEDWEUZVDLRLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-21-14(19)8-12-13(18)6-7-17(15(12)20)9-10-2-4-11(16)5-3-10/h2-7,18H,8-9H2,1H3.
What are the key properties of methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate has a molecular weight of 291.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate is sourced from PubChem (CID 54679651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).