5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid

C12H9FN2O3 — CID 117127348

IUPAC5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nncc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H9FN2O3/c1-18-11-10(12(16)17)9(6-14-15-11)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,16,17)
InChIKeyQZSSJHORZFBZFY-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.99
Rot. Bonds3

About 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid

5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid (PubChem CID 117127348) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
PubChem CID117127348
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nncc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H9FN2O3/c1-18-11-10(12(16)17)9(6-14-15-11)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,16,17)
InChIKeyQZSSJHORZFBZFY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid (CID 117127348) is 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid is COc1nncc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The InChIKey is QZSSJHORZFBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-18-11-10(12(16)17)9(6-14-15-11)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,16,17).
What are the key properties of 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid?
5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117127348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).