2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid

C9H7N3O3 — CID 76901614

IUPAC2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]ccc2=O)c1
InChIInChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,11H,(H,14,15)
InChIKeyCKBDZDLBYXCSKN-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.26
Rot. Bonds2

About 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid

2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 76901614) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
PubChem CID76901614
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]ccc2=O)c1
InChIInChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,11H,(H,14,15)
InChIKeyCKBDZDLBYXCSKN-UHFFFAOYSA-N
XLogP0.26
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (CID 76901614) is 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2[nH]ccc2=O)c1.
What is the InChIKey of 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is CKBDZDLBYXCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,11H,(H,14,15).
What are the key properties of 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 76901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).