2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid

C14H13FN2O3 — CID 146432831

IUPAC2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)12-7-11(14(19)20)13(18)17(16-12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20)
InChIKeyHRNZCNBAMZRFLP-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid

2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid (PubChem CID 146432831) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid
PubChem CID146432831
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)12-7-11(14(19)20)13(18)17(16-12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20)
InChIKeyHRNZCNBAMZRFLP-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid (CID 146432831) is 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid is CC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid?
The InChIKey is HRNZCNBAMZRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8(2)12-7-11(14(19)20)13(18)17(16-12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid?
2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 146432831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).