5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid

C14H9FN4O2 — CID 23143456

IUPAC5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C14H9FN4O2/c15-9-3-4-11(17-7-9)13-6-12(14(20)21)18-19(13)10-2-1-5-16-8-10/h1-8H,(H,20,21)
InChIKeyMENQTXASXZLPEC-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.17
Rot. Bonds3

About 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid

5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid (PubChem CID 23143456) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
PubChem CID23143456
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C14H9FN4O2/c15-9-3-4-11(17-7-9)13-6-12(14(20)21)18-19(13)10-2-1-5-16-8-10/h1-8H,(H,20,21)
InChIKeyMENQTXASXZLPEC-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid (CID 23143456) is 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cn2)n(-c2cccnc2)n1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is MENQTXASXZLPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-9-3-4-11(17-7-9)13-6-12(14(20)21)18-19(13)10-2-1-5-16-8-10/h1-8H,(H,20,21).
What are the key properties of 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 284.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 23143456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).