ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate

C21H18FNO3 — CID 132851457

IUPACethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c1-3-26-21(24)19-13-23-20(15-6-10-17(25-2)11-7-15)12-18(19)14-4-8-16(22)9-5-14/h4-13H,3H2,1-2H3
InChIKeyYYYQPEWHOGTBSM-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.74
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate (PubChem CID 132851457) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
PubChem CID132851457
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Nameethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c1-3-26-21(24)19-13-23-20(15-6-10-17(25-2)11-7-15)12-18(19)14-4-8-16(22)9-5-14/h4-13H,3H2,1-2H3
InChIKeyYYYQPEWHOGTBSM-UHFFFAOYSA-N
XLogP4.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 143010924
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
CID 121205212
ethyl 4-(3,5-dimethoxyphenyl)-6-methyl-5-(2,4,6-trifluorophenyl)pyridine-3-carboxylate
CID 67075835
ethyl 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carboxylate
CID 134157948
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate (CID 132851457) is ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccc(OC)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate?
The InChIKey is YYYQPEWHOGTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-3-26-21(24)19-13-23-20(15-6-10-17(25-2)11-7-15)12-18(19)14-4-8-16(22)9-5-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 132851457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).