1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid

C14H13FN2O5 — CID 150825540

IUPAC1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid
SMILESCOCCOc1cn(-c2ccc(F)cc2)nc(C(=O)O)c1=O
InChIInChI=1S/C14H13FN2O5/c1-21-6-7-22-11-8-17(10-4-2-9(15)3-5-10)16-12(13(11)18)14(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyKKVPVKSTSFPQSX-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.10
Rot. Bonds6

About 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid

1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid (PubChem CID 150825540) has the molecular formula C14H13FN2O5 and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid
PubChem CID150825540
Molecular FormulaC14H13FN2O5
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid
SMILESCOCCOc1cn(-c2ccc(F)cc2)nc(C(=O)O)c1=O
InChIInChI=1S/C14H13FN2O5/c1-21-6-7-22-11-8-17(10-4-2-9(15)3-5-10)16-12(13(11)18)14(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyKKVPVKSTSFPQSX-UHFFFAOYSA-N
XLogP1.10
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid (CID 150825540) is 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid is COCCOc1cn(-c2ccc(F)cc2)nc(C(=O)O)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid?
The InChIKey is KKVPVKSTSFPQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5/c1-21-6-7-22-11-8-17(10-4-2-9(15)3-5-10)16-12(13(11)18)14(19)20/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid?
1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid has a molecular weight of 308.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2-methoxyethoxy)-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 150825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).