6-(4-chlorophenoxy)pyridazine-3-carboxylic acid

C11H7ClN2O3 — CID 60791476

IUPAC6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2)nn1
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-10-6-5-9(11(15)16)13-14-10/h1-6H,(H,15,16)
InChIKeyLZWSCHLRHGIVFC-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.62
Rot. Bonds3

About 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid

6-(4-chlorophenoxy)pyridazine-3-carboxylic acid (PubChem CID 60791476) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
PubChem CID60791476
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2)nn1
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-10-6-5-9(11(15)16)13-14-10/h1-6H,(H,15,16)
InChIKeyLZWSCHLRHGIVFC-UHFFFAOYSA-N
XLogP2.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid (CID 60791476) is 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid?
The InChIKey is LZWSCHLRHGIVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-10-6-5-9(11(15)16)13-14-10/h1-6H,(H,15,16).
What are the key properties of 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid?
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).