methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate

C20H16FNO4 — CID 145189134

IUPACmethyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C20H16FNO4/c1-25-20(24)16-8-5-11-22(19(16)23)15-9-10-18(17(21)12-15)26-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyWFKZOSUUHPXZJP-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.34
Rot. Bonds5

About methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate

methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate (PubChem CID 145189134) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
PubChem CID145189134
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Namemethyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C20H16FNO4/c1-25-20(24)16-8-5-11-22(19(16)23)15-9-10-18(17(21)12-15)26-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyWFKZOSUUHPXZJP-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate
CID 137450235
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
CID 137450794
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate (CID 145189134) is methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(-c2ccc(OCc3ccccc3)c(F)c2)c1=O.
What is the InChIKey of methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate?
The InChIKey is WFKZOSUUHPXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-25-20(24)16-8-5-11-22(19(16)23)15-9-10-18(17(21)12-15)26-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate?
methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 145189134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).