2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid

C7H7FN2O3 — CID 170227535

IUPAC2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid
SMILESCC(F)n1nccc(C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O3/c1-4(8)10-6(11)5(7(12)13)2-3-9-10/h2-4H,1H3,(H,12,13)
InChIKeyHFPHLVCIMAEWDY-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.43
Rot. Bonds2

About 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid

2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid (PubChem CID 170227535) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid
PubChem CID170227535
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid
SMILESCC(F)n1nccc(C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O3/c1-4(8)10-6(11)5(7(12)13)2-3-9-10/h2-4H,1H3,(H,12,13)
InChIKeyHFPHLVCIMAEWDY-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid (CID 170227535) is 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid is CC(F)n1nccc(C(=O)O)c1=O.
What is the InChIKey of 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid?
The InChIKey is HFPHLVCIMAEWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4(8)10-6(11)5(7(12)13)2-3-9-10/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid?
2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid has a molecular weight of 186.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 170227535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).