1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid

C7H7FN2O3 — CID 114696025

IUPAC1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCF)n1
InChIInChI=1S/C7H7FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyRESGRANGLYHDSL-UHFFFAOYSA-N
MW186.14 g/mol
LogP-0.09
Rot. Bonds3

About 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid

1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 114696025) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID114696025
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCF)n1
InChIInChI=1S/C7H7FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyRESGRANGLYHDSL-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid (CID 114696025) is 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is RESGRANGLYHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-2H,3-4H2,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid?
1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 186.14 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114696025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).