6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid

C10H8N2O3 — CID 96618753

IUPAC6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2ccco2)cc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-7(10(13)14)5-8(12-11-6)9-3-2-4-15-9/h2-5H,1H3,(H,13,14)
InChIKeyAFWBJILNENQYAU-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

About 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid

6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid (PubChem CID 96618753) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid
PubChem CID96618753
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2ccco2)cc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-7(10(13)14)5-8(12-11-6)9-3-2-4-15-9/h2-5H,1H3,(H,13,14)
InChIKeyAFWBJILNENQYAU-UHFFFAOYSA-N
XLogP1.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid (CID 96618753) is 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid is Cc1nnc(-c2ccco2)cc1C(=O)O.
What is the InChIKey of 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid?
The InChIKey is AFWBJILNENQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-7(10(13)14)5-8(12-11-6)9-3-2-4-15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid?
6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 96618753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).