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

C14H12FNO3 — CID 69040142

IUPACmethyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C14H12FNO3/c1-19-14(18)12-6-5-11(16-13(12)17)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGACMTDFHJVSGEA-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.89
Rot. Bonds3

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

methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 69040142) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
PubChem CID69040142
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C14H12FNO3/c1-19-14(18)12-6-5-11(16-13(12)17)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGACMTDFHJVSGEA-UHFFFAOYSA-N
XLogP1.89
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (CID 69040142) is methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(Cc2cccc(F)c2)[nH]c1=O.
What is the InChIKey of methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GACMTDFHJVSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-14(18)12-6-5-11(16-13(12)17)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69040142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).