3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine

C13H13ClN2O — CID 61268428

IUPAC3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
SMILESCc1cccc(Oc2ccc(CCl)nn2)c1C
InChIInChI=1S/C13H13ClN2O/c1-9-4-3-5-12(10(9)2)17-13-7-6-11(8-14)15-16-13/h3-7H,8H2,1-2H3
InChIKeyYVELCFLNSRPFMA-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.62
Rot. Bonds3

About 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine

3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine (PubChem CID 61268428) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
PubChem CID61268428
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
SMILESCc1cccc(Oc2ccc(CCl)nn2)c1C
InChIInChI=1S/C13H13ClN2O/c1-9-4-3-5-12(10(9)2)17-13-7-6-11(8-14)15-16-13/h3-7H,8H2,1-2H3
InChIKeyYVELCFLNSRPFMA-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.62
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

N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine
CID 61269742
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
CID 63446236
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
CID 61268643
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine (CID 61268428) is 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine is Cc1cccc(Oc2ccc(CCl)nn2)c1C.
What is the InChIKey of 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine?
The InChIKey is YVELCFLNSRPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-4-3-5-12(10(9)2)17-13-7-6-11(8-14)15-16-13/h3-7H,8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine?
3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine has a molecular weight of 248.71 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine is sourced from PubChem (CID 61268428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).