ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate

C19H20FNO4 — CID 22004920

IUPACethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc(OC)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-5-25-19(23)16-15(12-6-8-13(20)9-7-12)14(10-22)18(24-4)21-17(16)11(2)3/h6-11H,5H2,1-4H3
InChIKeyQOTMNZLKPASNPJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate (PubChem CID 22004920) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate
PubChem CID22004920
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Nameethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc(OC)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-5-25-19(23)16-15(12-6-8-13(20)9-7-12)14(10-22)18(24-4)21-17(16)11(2)3/h6-11H,5H2,1-4H3
InChIKeyQOTMNZLKPASNPJ-UHFFFAOYSA-N
XLogP4.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate (CID 22004920) is ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate is CCOC(=O)c1c(C(C)C)nc(OC)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate?
The InChIKey is QOTMNZLKPASNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-5-25-19(23)16-15(12-6-8-13(20)9-7-12)14(10-22)18(24-4)21-17(16)11(2)3/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 22004920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).