5-pyridazin-3-ylfuran-2-carboxylic acid

C9H6N2O3 — CID 118477530

IUPAC5-pyridazin-3-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccnn2)o1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-4-3-7(14-8)6-2-1-5-10-11-6/h1-5H,(H,12,13)
InChIKeyJFWJYAQADMVOKY-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

About 5-pyridazin-3-ylfuran-2-carboxylic acid

5-pyridazin-3-ylfuran-2-carboxylic acid (PubChem CID 118477530) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-pyridazin-3-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridazin-3-ylfuran-2-carboxylic acid
PubChem CID118477530
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name5-pyridazin-3-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccnn2)o1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-4-3-7(14-8)6-2-1-5-10-11-6/h1-5H,(H,12,13)
InChIKeyJFWJYAQADMVOKY-UHFFFAOYSA-N
XLogP1.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-3-ylfuran-2-carboxylic acid?
The IUPAC name of 5-pyridazin-3-ylfuran-2-carboxylic acid (CID 118477530) is 5-pyridazin-3-ylfuran-2-carboxylic acid.
What is the SMILES notation for 5-pyridazin-3-ylfuran-2-carboxylic acid?
The canonical SMILES for 5-pyridazin-3-ylfuran-2-carboxylic acid is O=C(O)c1ccc(-c2cccnn2)o1.
What is the InChIKey of 5-pyridazin-3-ylfuran-2-carboxylic acid?
The InChIKey is JFWJYAQADMVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)8-4-3-7(14-8)6-2-1-5-10-11-6/h1-5H,(H,12,13).
What are the key properties of 5-pyridazin-3-ylfuran-2-carboxylic acid?
5-pyridazin-3-ylfuran-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-3-ylfuran-2-carboxylic acid is sourced from PubChem (CID 118477530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).