5-fluoro-2-pyridazin-3-yloxybenzoic acid

C11H7FN2O3 — CID 115298215

IUPAC5-fluoro-2-pyridazin-3-yloxybenzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1cccnn1
InChIInChI=1S/C11H7FN2O3/c12-7-3-4-9(8(6-7)11(15)16)17-10-2-1-5-13-14-10/h1-6H,(H,15,16)
InChIKeyGSPMMZJQOVULIS-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.11
Rot. Bonds3

About 5-fluoro-2-pyridazin-3-yloxybenzoic acid

5-fluoro-2-pyridazin-3-yloxybenzoic acid (PubChem CID 115298215) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-fluoro-2-pyridazin-3-yloxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-pyridazin-3-yloxybenzoic acid
PubChem CID115298215
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name5-fluoro-2-pyridazin-3-yloxybenzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1cccnn1
InChIInChI=1S/C11H7FN2O3/c12-7-3-4-9(8(6-7)11(15)16)17-10-2-1-5-13-14-10/h1-6H,(H,15,16)
InChIKeyGSPMMZJQOVULIS-UHFFFAOYSA-N
XLogP2.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
4-bromo-2-pyridazin-3-yloxybenzoic acid
CID 62482256
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585791
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-fluorobenzoic acid
CID 105363223
6-(2-bromo-4-fluorophenoxy)pyridazine-3-carboxylic acid
CID 54919489
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyridazin-3-yloxybenzoic acid?
The IUPAC name of 5-fluoro-2-pyridazin-3-yloxybenzoic acid (CID 115298215) is 5-fluoro-2-pyridazin-3-yloxybenzoic acid.
What is the SMILES notation for 5-fluoro-2-pyridazin-3-yloxybenzoic acid?
The canonical SMILES for 5-fluoro-2-pyridazin-3-yloxybenzoic acid is O=C(O)c1cc(F)ccc1Oc1cccnn1.
What is the InChIKey of 5-fluoro-2-pyridazin-3-yloxybenzoic acid?
The InChIKey is GSPMMZJQOVULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-3-4-9(8(6-7)11(15)16)17-10-2-1-5-13-14-10/h1-6H,(H,15,16).
What are the key properties of 5-fluoro-2-pyridazin-3-yloxybenzoic acid?
5-fluoro-2-pyridazin-3-yloxybenzoic acid has a molecular weight of 234.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyridazin-3-yloxybenzoic acid is sourced from PubChem (CID 115298215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).