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

C13H10FNO3 — CID 66632328

IUPACmethyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)9-6-11(15-12(16)7-9)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,15,16)
InChIKeyGRZFLEJDLOEFHD-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.97
Rot. Bonds2

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

methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 66632328) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate
PubChem CID66632328
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Namemethyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)9-6-11(15-12(16)7-9)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,15,16)
InChIKeyGRZFLEJDLOEFHD-UHFFFAOYSA-N
XLogP1.97
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate (CID 66632328) is methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(-c2cccc(F)c2)[nH]c(=O)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is GRZFLEJDLOEFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)9-6-11(15-12(16)7-9)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate?
methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 247.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 66632328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).