6-phenylpyridazine-3-carboxylic acid

C11H8N2O2 — CID 68776020

IUPAC6-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyVHEYTABSZVILNN-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 6-phenylpyridazine-3-carboxylic acid

6-phenylpyridazine-3-carboxylic acid (PubChem CID 68776020) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-phenylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-phenylpyridazine-3-carboxylic acid
PubChem CID68776020
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name6-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyVHEYTABSZVILNN-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylpyridazine-3-carboxylic acid?
The IUPAC name of 6-phenylpyridazine-3-carboxylic acid (CID 68776020) is 6-phenylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-phenylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-phenylpyridazine-3-carboxylic acid is O=C(O)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 6-phenylpyridazine-3-carboxylic acid?
The InChIKey is VHEYTABSZVILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15).
What are the key properties of 6-phenylpyridazine-3-carboxylic acid?
6-phenylpyridazine-3-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyridazine-3-carboxylic acid is sourced from PubChem (CID 68776020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).