ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate

C15H16FNO3 — CID 58128710

IUPACethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=CCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-3-20-15(19)12-8-9-13(18)17(2)14(12)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3
InChIKeyBLMMXQNCBRPGGG-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate

ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate (PubChem CID 58128710) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate
PubChem CID58128710
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=CCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-3-20-15(19)12-8-9-13(18)17(2)14(12)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3
InChIKeyBLMMXQNCBRPGGG-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate
CID 650029
Propan-2-yl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2830439
hexyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855062
methyl (4S)-1-ethyl-3,6-dimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 16745556
3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
CID 21959117
(1R,5S)-methyl 3-(2,4-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 42628161
Ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 4310629
Allyl 3-(benzoylamino)-3-phenylpropanoate
CID 3672271
Ethyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 607408
Butaverine
CID 189889
2-Ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 649636
methyl (6S)-3-ethyl-6-(3-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate (CID 58128710) is ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate is CCOC(=O)C1=CCC(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate?
The InChIKey is BLMMXQNCBRPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-3-20-15(19)12-8-9-13(18)17(2)14(12)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate?
ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-1-methyl-6-oxo-2,5-dihydropyridine-3-carboxylate is sourced from PubChem (CID 58128710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).