1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

C11H7FN2O4 — CID 54729766

IUPAC1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18)
InChIKeyDUQRMDICQHLSSL-UHFFFAOYSA-N
MW250.19 g/mol
LogP0.78
Rot. Bonds2

About 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (PubChem CID 54729766) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
PubChem CID54729766
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18)
InChIKeyDUQRMDICQHLSSL-UHFFFAOYSA-N
XLogP0.78
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (CID 54729766) is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The InChIKey is DUQRMDICQHLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18).
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid has a molecular weight of 250.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 54729766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).