methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate

C20H16FNO3 — CID 169227202

IUPACmethyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(F)n(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C20H16FNO3/c1-25-20(24)17-10-6-5-9-16(17)15-11-18(21)22(19(23)12-15)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyHLDNUQWLHWJMKL-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.49
Rot. Bonds4

About methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate

methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate (PubChem CID 169227202) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate
PubChem CID169227202
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Namemethyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(F)n(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C20H16FNO3/c1-25-20(24)17-10-6-5-9-16(17)15-11-18(21)22(19(23)12-15)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyHLDNUQWLHWJMKL-UHFFFAOYSA-N
XLogP3.49
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate
CID 169227211
methyl 2-[3-(chloromethyl)-5-(2-methoxycarbonylphenyl)phenyl]benzoate
CID 122364093
2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide
CID 169227231
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
methyl 1-benzyl-5-fluoro-3,4-diphenylpyrrole-2-carboxylate
CID 175003273
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2-[4-[(4,5-dicyano-2-methylimidazol-1-yl)methyl]phenyl]benzoate
CID 16679785
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
methyl 2-ethoxy-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 15654679
methyl 2-triphenylen-2-ylbenzoate
CID 142724319

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate?
The IUPAC name of methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate (CID 169227202) is methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate.
What is the SMILES notation for methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate?
The canonical SMILES for methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate is COC(=O)c1ccccc1-c1cc(F)n(Cc2ccccc2)c(=O)c1.
What is the InChIKey of methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate?
The InChIKey is HLDNUQWLHWJMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-25-20(24)17-10-6-5-9-16(17)15-11-18(21)22(19(23)12-15)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate?
methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate has a molecular weight of 337.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate is sourced from PubChem (CID 169227202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).