6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid

C11H8N2O3 — CID 39202461

IUPAC6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cn[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10-9(11(15)16)8(6-12-13-10)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16)
InChIKeyGKGOBNAAIVSZOW-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.14
Rot. Bonds2

About 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid

6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid (PubChem CID 39202461) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
PubChem CID39202461
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cn[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10-9(11(15)16)8(6-12-13-10)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16)
InChIKeyGKGOBNAAIVSZOW-UHFFFAOYSA-N
XLogP1.14
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid (CID 39202461) is 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid is O=C(O)c1c(-c2ccccc2)cn[nH]c1=O.
What is the InChIKey of 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid?
The InChIKey is GKGOBNAAIVSZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-9(11(15)16)8(6-12-13-10)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid?
6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 39202461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).