methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate

C13H10FNO3 — CID 163348793

IUPACmethyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)9-6-7-12(16)15(8-9)11-5-3-2-4-10(11)14/h2-8H,1H3
InChIKeyVPFXWHQCOIEJHN-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.76
Rot. Bonds2

About methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate

methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 163348793) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
PubChem CID163348793
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Namemethyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c1-18-13(17)9-6-7-12(16)15(8-9)11-5-3-2-4-10(11)14/h2-8H,1H3
InChIKeyVPFXWHQCOIEJHN-UHFFFAOYSA-N
XLogP1.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylate
CID 166563672
methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118213206
methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
CID 69225944
1-(2-fluorophenyl)-N-[1-[3-(3-formylthiophen-2-yl)phenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175582854
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
methyl 2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129
methyl 3-(1,3-dioxoisoindol-2-yl)-5-fluoro-4-methylbenzoate
CID 168519228
methyl 4-[[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate
CID 5009961
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 167473621
methyl 1-methyl-6-sulfanylidenepyridine-3-carboxylate
CID 901960

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 163348793) is methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(-c2ccccc2F)c1.
What is the InChIKey of methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is VPFXWHQCOIEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)9-6-7-12(16)15(8-9)11-5-3-2-4-10(11)14/h2-8H,1H3.
What are the key properties of methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate?
methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 163348793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).