methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate

C15H14FNO4 — CID 155595431

IUPACmethyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2cc(F)ccc2OC)c1C
InChIInChI=1S/C15H14FNO4/c1-9-11(15(19)21-3)5-7-14(18)17(9)12-8-10(16)4-6-13(12)20-2/h4-8H,1-3H3
InChIKeyKFJIKGKABOVKBZ-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.08
Rot. Bonds3

About methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate

methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate (PubChem CID 155595431) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate
PubChem CID155595431
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Namemethyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2cc(F)ccc2OC)c1C
InChIInChI=1S/C15H14FNO4/c1-9-11(15(19)21-3)5-7-14(18)17(9)12-8-10(16)4-6-13(12)20-2/h4-8H,1-3H3
InChIKeyKFJIKGKABOVKBZ-UHFFFAOYSA-N
XLogP2.08
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxybenzoate
CID 2808808
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
CID 142792846
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
methyl 2-ethynyl-4-fluorobenzoate
CID 130038458
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
(4-fluorophenyl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175379
methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
CID 167111923
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate (CID 155595431) is methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(-c2cc(F)ccc2OC)c1C.
What is the InChIKey of methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is KFJIKGKABOVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-11(15(19)21-3)5-7-14(18)17(9)12-8-10(16)4-6-13(12)20-2/h4-8H,1-3H3.
What are the key properties of methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate?
methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 155595431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).