methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate

C13H10FNO3 — CID 53218107

IUPACmethyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccc[nH]c2=O)ccc1F
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-7-8(4-5-11(10)14)9-3-2-6-15-12(9)16/h2-7H,1H3,(H,15,16)
InChIKeyCJKXELINJLDBCM-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.97
Rot. Bonds2

About methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate

methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate (PubChem CID 53218107) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
PubChem CID53218107
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Namemethyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccc[nH]c2=O)ccc1F
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-7-8(4-5-11(10)14)9-3-2-6-15-12(9)16/h2-7H,1H3,(H,15,16)
InChIKeyCJKXELINJLDBCM-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-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate?
The IUPAC name of methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate (CID 53218107) is methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate is COC(=O)c1cc(-c2ccc[nH]c2=O)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate?
The InChIKey is CJKXELINJLDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)10-7-8(4-5-11(10)14)9-3-2-6-15-12(9)16/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate?
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate 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-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate is sourced from PubChem (CID 53218107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).