3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid

C12H9ClN2O3 — CID 80517381

IUPAC3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OCc1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-10-4-2-1-3-8(10)7-18-11-9(12(16)17)5-6-14-15-11/h1-6H,7H2,(H,16,17)
InChIKeyYQQXQECYPGDCJD-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.41
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid

3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid (PubChem CID 80517381) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
PubChem CID80517381
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OCc1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-10-4-2-1-3-8(10)7-18-11-9(12(16)17)5-6-14-15-11/h1-6H,7H2,(H,16,17)
InChIKeyYQQXQECYPGDCJD-UHFFFAOYSA-N
XLogP2.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid (CID 80517381) is 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid?
The InChIKey is YQQXQECYPGDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-10-4-2-1-3-8(10)7-18-11-9(12(16)17)5-6-14-15-11/h1-6H,7H2,(H,16,17).
What are the key properties of 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid?
3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).