3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one

C11H9ClN2O2 — CID 13157421

IUPAC3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one
SMILESO=c1ccc(OCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-8(9)7-16-11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)
InChIKeyZABBJIYAYDHKTI-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds3

About 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one

3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one (PubChem CID 13157421) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one
PubChem CID13157421
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one
SMILESO=c1ccc(OCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-8(9)7-16-11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)
InChIKeyZABBJIYAYDHKTI-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one (CID 13157421) is 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one is O=c1ccc(OCc2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one?
The InChIKey is ZABBJIYAYDHKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-8(9)7-16-11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one?
3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one has a molecular weight of 236.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one is sourced from PubChem (CID 13157421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).