4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide

C12H9FN2O2 — CID 22047767

IUPAC4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-5-6-11(16)14-7-10/h1-7H,(H,14,16)(H,15,17)
InChIKeySCSMYURORHCHSJ-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.77
Rot. Bonds2

About 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide

4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 22047767) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
PubChem CID22047767
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-5-6-11(16)14-7-10/h1-7H,(H,14,16)(H,15,17)
InChIKeySCSMYURORHCHSJ-UHFFFAOYSA-N
XLogP1.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide (CID 22047767) is 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide is O=C(Nc1ccc(=O)[nH]c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is SCSMYURORHCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-5-6-11(16)14-7-10/h1-7H,(H,14,16)(H,15,17).
What are the key properties of 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 232.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 22047767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).