2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid

C11H11FN2O3 — CID 156887102

IUPAC2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)c(F)nn2cccc12
InChIInChI=1S/C11H11FN2O3/c1-6(17-2)8-7-4-3-5-14(7)13-10(12)9(8)11(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFBTCATURHSGKFI-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid

2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 156887102) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID156887102
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)c(F)nn2cccc12
InChIInChI=1S/C11H11FN2O3/c1-6(17-2)8-7-4-3-5-14(7)13-10(12)9(8)11(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFBTCATURHSGKFI-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid (CID 156887102) is 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid is COC(C)c1c(C(=O)O)c(F)nn2cccc12.
What is the InChIKey of 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is FBTCATURHSGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6(17-2)8-7-4-3-5-14(7)13-10(12)9(8)11(15)16/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 156887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).