3-[(2-chlorophenyl)-methoxymethyl]pyridazine

C12H11ClN2O — CID 21387611

IUPAC3-[(2-chlorophenyl)-methoxymethyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3
InChIKeySJHBLHVFRJTEQN-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.87
Rot. Bonds3

About 3-[(2-chlorophenyl)-methoxymethyl]pyridazine

3-[(2-chlorophenyl)-methoxymethyl]pyridazine (PubChem CID 21387611) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-methoxymethyl]pyridazine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-methoxymethyl]pyridazine
PubChem CID21387611
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-[(2-chlorophenyl)-methoxymethyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3
InChIKeySJHBLHVFRJTEQN-UHFFFAOYSA-N
XLogP2.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-methoxymethyl]pyridazine?
The IUPAC name of 3-[(2-chlorophenyl)-methoxymethyl]pyridazine (CID 21387611) is 3-[(2-chlorophenyl)-methoxymethyl]pyridazine.
What is the SMILES notation for 3-[(2-chlorophenyl)-methoxymethyl]pyridazine?
The canonical SMILES for 3-[(2-chlorophenyl)-methoxymethyl]pyridazine is COC(c1cccnn1)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)-methoxymethyl]pyridazine?
The InChIKey is SJHBLHVFRJTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3.
What are the key properties of 3-[(2-chlorophenyl)-methoxymethyl]pyridazine?
3-[(2-chlorophenyl)-methoxymethyl]pyridazine has a molecular weight of 234.69 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-methoxymethyl]pyridazine is sourced from PubChem (CID 21387611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).