methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate

C14H12FNO3 — CID 59377635

IUPACmethyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2ccc(C)c(F)c2)cc1=O
InChIInChI=1S/C14H12FNO3/c1-8-3-4-9(5-11(8)15)12-6-13(17)10(7-16-12)14(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyHNNKGBFLEVRGQP-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.28
Rot. Bonds2

About methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate

methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 59377635) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate
PubChem CID59377635
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2ccc(C)c(F)c2)cc1=O
InChIInChI=1S/C14H12FNO3/c1-8-3-4-9(5-11(8)15)12-6-13(17)10(7-16-12)14(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyHNNKGBFLEVRGQP-UHFFFAOYSA-N
XLogP2.28
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate (CID 59377635) is methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(-c2ccc(C)c(F)c2)cc1=O.
What is the InChIKey of methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HNNKGBFLEVRGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-3-4-9(5-11(8)15)12-6-13(17)10(7-16-12)14(18)19-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 59377635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).