methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C19H12Cl2FNO3 — CID 69417262

IUPACmethyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C19H12Cl2FNO3/c1-26-19(25)15-9-14(10-2-5-12(22)6-3-10)17(23-18(15)24)13-7-4-11(20)8-16(13)21/h2-9H,1H3,(H,23,24)
InChIKeyOOPKIGNNCGIAKO-UHFFFAOYSA-N
MW392.21 g/mol
LogP4.94
Rot. Bonds3

About methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 69417262) has the molecular formula C19H12Cl2FNO3 and a molecular weight of 392.21 g/mol. Its IUPAC name is methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID69417262
Molecular FormulaC19H12Cl2FNO3
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Namemethyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C19H12Cl2FNO3/c1-26-19(25)15-9-14(10-2-5-12(22)6-3-10)17(23-18(15)24)13-7-4-11(20)8-16(13)21/h2-9H,1H3,(H,23,24)
InChIKeyOOPKIGNNCGIAKO-UHFFFAOYSA-N
XLogP4.94
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 69417262) is methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=O.
What is the InChIKey of methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is OOPKIGNNCGIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO3/c1-26-19(25)15-9-14(10-2-5-12(22)6-3-10)17(23-18(15)24)13-7-4-11(20)8-16(13)21/h2-9H,1H3,(H,23,24).
What are the key properties of methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 392.21 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69417262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).