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

C15H18FNO2 — CID 100933548

IUPACethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C15H18FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWQKAJYCHJIZDPB-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.48
Rot. Bonds3

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

ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 100933548) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID100933548
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nameethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C15H18FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWQKAJYCHJIZDPB-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 100933548) is ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WQKAJYCHJIZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 100933548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).