ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate

C15H14FNO3 — CID 90717630

IUPACethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(F)cc2)c[nH]c1=O
InChIInChI=1S/C15H14FNO3/c1-3-20-15(19)13-9(2)12(8-17-14(13)18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyHGEUCQQZBSVRML-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.67
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 90717630) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID90717630
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Nameethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(F)cc2)c[nH]c1=O
InChIInChI=1S/C15H14FNO3/c1-3-20-15(19)13-9(2)12(8-17-14(13)18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyHGEUCQQZBSVRML-UHFFFAOYSA-N
XLogP2.67
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
CID 59988458
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10687624
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786852
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 90717630) is ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)c(-c2ccc(F)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HGEUCQQZBSVRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-20-15(19)13-9(2)12(8-17-14(13)18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90717630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).