ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C14H14FNO3 — CID 139241442

IUPACethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)CC1
InChIInChI=1S/C14H14FNO3/c1-2-19-14(18)11-7-8-12(17)16-13(11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyCLRIYQFJJHFSNJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.01
Rot. Bonds3

About ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 139241442) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID139241442
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Nameethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)CC1
InChIInChI=1S/C14H14FNO3/c1-2-19-14(18)11-7-8-12(17)16-13(11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyCLRIYQFJJHFSNJ-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST061321
CID 2864982
Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
CID 5333136
Cyclohexylmethyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989860
Diethyl 4-ethyl-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9841022
Diethyl 2,4-dimethyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9862292
5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9884498
Diethyl 2-ethyl-4-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9884499
Ethyl 5-(ethylcarbamoyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate
CID 10501925
Ethyl 5-[(ethylamino)carbonyl]-1,4-dihydro-6-methyl-2-phenyl-4-(2-phenylethynyl)-3-pyridinecarboxylate
CID 11796069
Cyclohexylmethyl 4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989793
Cyclohexylmethyl 4-(2,3-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989861
Methyl 4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2850505

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 139241442) is ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)CC1.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is CLRIYQFJJHFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-2-19-14(18)11-7-8-12(17)16-13(11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,17).
What are the key properties of ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 139241442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).