3-(chloromethyl)-6-(3-methylphenoxy)pyridazine

C12H11ClN2O — CID 61267321

IUPAC3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
SMILESCc1cccc(Oc2ccc(CCl)nn2)c1
InChIInChI=1S/C12H11ClN2O/c1-9-3-2-4-11(7-9)16-12-6-5-10(8-13)14-15-12/h2-7H,8H2,1H3
InChIKeySSKCULISUGBABO-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.32
Rot. Bonds3

About 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine

3-(chloromethyl)-6-(3-methylphenoxy)pyridazine (PubChem CID 61267321) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
PubChem CID61267321
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
SMILESCc1cccc(Oc2ccc(CCl)nn2)c1
InChIInChI=1S/C12H11ClN2O/c1-9-3-2-4-11(7-9)16-12-6-5-10(8-13)14-15-12/h2-7H,8H2,1H3
InChIKeySSKCULISUGBABO-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
2-(chloromethyl)-5-(3-methylphenoxy)pyrazine
CID 107373703
3-(chloromethyl)-6-pyridin-3-yloxypyridazine
CID 61268782
3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
CID 61268428
3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine
CID 12040107
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
CID 61268789
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
CID 61268607
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
CID 63877810
3-(chloromethyl)-6-(4-iodophenoxy)pyridazine
CID 61269176
[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 62297633
1-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62297460

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine (CID 61267321) is 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine is Cc1cccc(Oc2ccc(CCl)nn2)c1.
What is the InChIKey of 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine?
The InChIKey is SSKCULISUGBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-3-2-4-11(7-9)16-12-6-5-10(8-13)14-15-12/h2-7H,8H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine?
3-(chloromethyl)-6-(3-methylphenoxy)pyridazine has a molecular weight of 234.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(3-methylphenoxy)pyridazine is sourced from PubChem (CID 61267321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).