6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid

C13H10Cl2FN3O3 — CID 67075849

IUPAC6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN3O3/c1-5(10-6(14)2-3-7(16)11(10)15)22-9-4-8(13(20)21)18-19-12(9)17/h2-5H,1H3,(H2,17,19)(H,20,21)
InChIKeyORPAQUJHZZZPSH-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.34
Rot. Bonds4

About 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid (PubChem CID 67075849) has the molecular formula C13H10Cl2FN3O3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
PubChem CID67075849
Molecular FormulaC13H10Cl2FN3O3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN3O3/c1-5(10-6(14)2-3-7(16)11(10)15)22-9-4-8(13(20)21)18-19-12(9)17/h2-5H,1H3,(H2,17,19)(H,20,21)
InChIKeyORPAQUJHZZZPSH-UHFFFAOYSA-N
XLogP3.34
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.34
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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Related Compounds

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
CID 24961495
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide
CID 44553914
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide
CID 44554091
6-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester
CID 58328381
Xhd8bfd63B
CID 58328389
Ethyl 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carboxylate
CID 59231681
5-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carboxylic acid
CID 59231684
5-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride
CID 59231692
4-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]benzoic acid
CID 59231711
6-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
CID 67251595
6-Amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid
CID 69005831
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
CID 69043158

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid (CID 67075849) is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid is CC(Oc1cc(C(=O)O)nnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
The InChIKey is ORPAQUJHZZZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O3/c1-5(10-6(14)2-3-7(16)11(10)15)22-9-4-8(13(20)21)18-19-12(9)17/h2-5H,1H3,(H2,17,19)(H,20,21).
What are the key properties of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid?
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid has a molecular weight of 346.15 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid is sourced from PubChem (CID 67075849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).