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

C21H18FNO5 — CID 1261229

IUPACdimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(O)c1
InChIInChI=1S/C21H18FNO5/c1-27-20(25)17-11-23(15-8-6-14(22)7-9-15)12-18(21(26)28-2)19(17)13-4-3-5-16(24)10-13/h3-12,19,24H,1-2H3
InChIKeyWYOKIJCHNSFWDR-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.25
Rot. Bonds4

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

dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1261229) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1261229
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Namedimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(O)c1
InChIInChI=1S/C21H18FNO5/c1-27-20(25)17-11-23(15-8-6-14(22)7-9-15)12-18(21(26)28-2)19(17)13-4-3-5-16(24)10-13/h3-12,19,24H,1-2H3
InChIKeyWYOKIJCHNSFWDR-UHFFFAOYSA-N
XLogP3.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1261229) is dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(O)c1.
What is the InChIKey of dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is WYOKIJCHNSFWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-27-20(25)17-11-23(15-8-6-14(22)7-9-15)12-18(21(26)28-2)19(17)13-4-3-5-16(24)10-13/h3-12,19,24H,1-2H3.
What are the key properties of dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 383.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1261229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).