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

C13H10FNO3 — CID 18324387

IUPACmethyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(16)15-12(10)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyIDKRYEUSTGWVQU-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.97
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 18324387) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID18324387
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Namemethyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(16)15-12(10)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyIDKRYEUSTGWVQU-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 ≤ 500247.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
methyl 6-oxo-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]-1H-pyridine-3-carboxylate
CID 87515064
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
CID 114835353
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
dimethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 10882134
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 91360699
methyl 5-bromo-2-(4-fluorophenyl)-7-methyl-1H-indole-3-carboxylate
CID 172606750
methyl 2-(4-bromo-2-fluoroanilino)-6-oxo-1H-pyridine-3-carboxylate
CID 66674125
CID 170307924
CID 170307924
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
CID 122590621

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate (CID 18324387) is methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IDKRYEUSTGWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(16)15-12(10)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 247.23 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-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 18324387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).