3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid

C12H9FN2O3 — CID 102987529

IUPAC3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nnccc1C(=O)O
InChIInChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-11-9(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyYLMJEQOKGWWGSP-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.41
Rot. Bonds3

About 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid

3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid (PubChem CID 102987529) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
PubChem CID102987529
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nnccc1C(=O)O
InChIInChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-11-9(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyYLMJEQOKGWWGSP-UHFFFAOYSA-N
XLogP2.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
3-(2,4-difluorophenoxy)pyridazine-4-carbothioamide
CID 80512567
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid (CID 102987529) is 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid is Cc1ccc(F)cc1Oc1nnccc1C(=O)O.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid?
The InChIKey is YLMJEQOKGWWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-11-9(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid?
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 102987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).