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

C11H6ClFN2O3 — CID 1486267

IUPAC4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1Cl
InChIInChI=1S/C11H6ClFN2O3/c12-8-5-9(16)15(14-10(8)11(17)18)7-3-1-6(13)2-4-7/h1-5H,(H,17,18)
InChIKeyMGDBPZUYXCHWGT-UHFFFAOYSA-N
MW268.63 g/mol
LogP1.72
Rot. Bonds2

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

4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 1486267) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID1486267
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC Name4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1Cl
InChIInChI=1S/C11H6ClFN2O3/c12-8-5-9(16)15(14-10(8)11(17)18)7-3-1-6(13)2-4-7/h1-5H,(H,17,18)
InChIKeyMGDBPZUYXCHWGT-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid (CID 1486267) is 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2)c(=O)cc1Cl.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is MGDBPZUYXCHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-8-5-9(16)15(14-10(8)11(17)18)7-3-1-6(13)2-4-7/h1-5H,(H,17,18).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid?
4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 268.63 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 1486267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).