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

C22H20FNO5 — CID 1094572

IUPACdimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C22H20FNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3
InChIKeyUTGVYIDYKHWLFS-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.55
Rot. Bonds5

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

dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1094572) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1094572
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Namedimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C22H20FNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3
InChIKeyUTGVYIDYKHWLFS-UHFFFAOYSA-N
XLogP3.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1094572) is dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1.
What is the InChIKey of dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is UTGVYIDYKHWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-27-17-9-7-16(8-10-17)24-12-18(21(25)28-2)20(19(13-24)22(26)29-3)14-5-4-6-15(23)11-14/h4-13,20H,1-3H3.
What are the key properties of dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 397.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1094572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).