dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate

C15H16FNO4 — CID 10891684

IUPACdimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=CN(C(=O)OC)CCC1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4/c1-20-14(18)13-9-17(15(19)21-2)8-7-12(13)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyGTDLOWSPGAZNOA-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.44
Rot. Bonds2

About dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate

dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate (PubChem CID 10891684) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate
PubChem CID10891684
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Namedimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=CN(C(=O)OC)CCC1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4/c1-20-14(18)13-9-17(15(19)21-2)8-7-12(13)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyGTDLOWSPGAZNOA-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate (CID 10891684) is dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate is COC(=O)C1=CN(C(=O)OC)CCC1c1ccc(F)cc1.
What is the InChIKey of dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate?
The InChIKey is GTDLOWSPGAZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-20-14(18)13-9-17(15(19)21-2)8-7-12(13)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate?
dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate has a molecular weight of 293.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate is sourced from PubChem (CID 10891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).