ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate

C15H14F3NO3 — CID 139241446

IUPACethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C(F)(F)F)cc2)NC(=O)CC1
InChIInChI=1S/C15H14F3NO3/c1-2-22-14(21)11-7-8-12(20)19-13(11)9-3-5-10(6-4-9)15(16,17)18/h3-6H,2,7-8H2,1H3,(H,19,20)
InChIKeyADNOZEHYPWWNTE-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 139241446) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID139241446
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Nameethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C(F)(F)F)cc2)NC(=O)CC1
InChIInChI=1S/C15H14F3NO3/c1-2-22-14(21)11-7-8-12(20)19-13(11)9-3-5-10(6-4-9)15(16,17)18/h3-6H,2,7-8H2,1H3,(H,19,20)
InChIKeyADNOZEHYPWWNTE-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2854419
Diethyl 4-ethyl-2-(3-fluorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44589822
Diethyl 4-ethyl-2-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44589823
ethyl 3-methyl-1-oxo-6-(trifluoromethyl)-2H-isoquinoline-4-carboxylate
CID 138973631
ethyl 6-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241441
ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241442
ethyl 6-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241443
ethyl 4-methyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15011883
2-(4-Tolyl)-3-ethoxycarbonyl-2-pyrroline-5-on
CID 69603111
methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 20647559
Methyl 4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
CID 68826908
3-O-ethyl 5-O-methyl 2-(4-fluorophenyl)-6-methyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 69947516

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 139241446) is ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(C(F)(F)F)cc2)NC(=O)CC1.
What is the InChIKey of ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is ADNOZEHYPWWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-2-22-14(21)11-7-8-12(20)19-13(11)9-3-5-10(6-4-9)15(16,17)18/h3-6H,2,7-8H2,1H3,(H,19,20).
What are the key properties of ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 313.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 139241446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).