5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide

C13H10FN3O2 — CID 47460385

IUPAC5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H10FN3O2/c14-9-2-1-3-10(6-9)17-13(19)8-4-5-11(12(15)18)16-7-8/h1-7H,(H2,15,18)(H,17,19)
InChIKeyKHTQZSDHDVCMNL-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.57
Rot. Bonds3

About 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide

5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide (PubChem CID 47460385) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
PubChem CID47460385
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H10FN3O2/c14-9-2-1-3-10(6-9)17-13(19)8-4-5-11(12(15)18)16-7-8/h1-7H,(H2,15,18)(H,17,19)
InChIKeyKHTQZSDHDVCMNL-UHFFFAOYSA-N
XLogP1.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide (CID 47460385) is 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide?
The InChIKey is KHTQZSDHDVCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-9-2-1-3-10(6-9)17-13(19)8-4-5-11(12(15)18)16-7-8/h1-7H,(H2,15,18)(H,17,19).
What are the key properties of 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide?
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide has a molecular weight of 259.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 47460385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).