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

C12H9FN2O3 — CID 107661523

IUPAC3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1cccc(Oc2nnccc2C(=O)O)c1F
InChIInChI=1S/C12H9FN2O3/c1-7-3-2-4-9(10(7)13)18-11-8(12(16)17)5-6-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyUJSHIPNLEGWWQR-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.41
Rot. Bonds3

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

3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid (PubChem CID 107661523) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
PubChem CID107661523
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1cccc(Oc2nnccc2C(=O)O)c1F
InChIInChI=1S/C12H9FN2O3/c1-7-3-2-4-9(10(7)13)18-11-8(12(16)17)5-6-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyUJSHIPNLEGWWQR-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-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
CID 80515552
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107660000
3-(2-fluoro-6-nitrophenoxy)pyridazine-4-carboxylic acid
CID 104832433

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid (CID 107661523) is 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid is Cc1cccc(Oc2nnccc2C(=O)O)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid?
The InChIKey is UJSHIPNLEGWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-3-2-4-9(10(7)13)18-11-8(12(16)17)5-6-14-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid?
3-(2-fluoro-3-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-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 107661523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).