6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid

C13H10Cl2FN3O3 — CID 69005831

IUPAC6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
SMILESNc1nnc(C(=O)O)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN3O3/c14-7-1-2-8(16)11(15)6(7)3-4-22-10-5-9(13(20)21)18-19-12(10)17/h1-2,5H,3-4H2,(H2,17,19)(H,20,21)
InChIKeyFCQJDWIONPXNBO-UHFFFAOYSA-N
MW346.15 g/mol
LogP2.82
Rot. Bonds5

About 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid (PubChem CID 69005831) has the molecular formula C13H10Cl2FN3O3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
PubChem CID69005831
Molecular FormulaC13H10Cl2FN3O3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
SMILESNc1nnc(C(=O)O)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN3O3/c14-7-1-2-8(16)11(15)6(7)3-4-22-10-5-9(13(20)21)18-19-12(10)17/h1-2,5H,3-4H2,(H2,17,19)(H,20,21)
InChIKeyFCQJDWIONPXNBO-UHFFFAOYSA-N
XLogP2.82
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid (CID 69005831) is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid is Nc1nnc(C(=O)O)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The InChIKey is FCQJDWIONPXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O3/c14-7-1-2-8(16)11(15)6(7)3-4-22-10-5-9(13(20)21)18-19-12(10)17/h1-2,5H,3-4H2,(H2,17,19)(H,20,21).
What are the key properties of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid has a molecular weight of 346.15 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid is sourced from PubChem (CID 69005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).