3-(chloromethyl)-6-octoxypyridazine

C13H21ClN2O — CID 61269519

IUPAC3-(chloromethyl)-6-octoxypyridazine
SMILESCCCCCCCCOc1ccc(CCl)nn1
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-10-17-13-9-8-12(11-14)15-16-13/h8-9H,2-7,10-11H2,1H3
InChIKeyZIQZANOPOOZLNQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.95
Rot. Bonds9

About 3-(chloromethyl)-6-octoxypyridazine

3-(chloromethyl)-6-octoxypyridazine (PubChem CID 61269519) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-(chloromethyl)-6-octoxypyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-octoxypyridazine
PubChem CID61269519
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-(chloromethyl)-6-octoxypyridazine
SMILESCCCCCCCCOc1ccc(CCl)nn1
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-10-17-13-9-8-12(11-14)15-16-13/h8-9H,2-7,10-11H2,1H3
InChIKeyZIQZANOPOOZLNQ-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047
3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
CID 66232513
6-hexoxypyridazin-3-amine
CID 11959089
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
2,6-bis(chloromethyl)-3-dodecoxypyridine
CID 11057499
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
3-pentoxy-6-phenylpyridazine
CID 19760650
3-(chloromethyl)-6-propan-2-yloxypyridazine
CID 61267484
3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
CID 22412684
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
N-methyl-1-[6-(2-propoxyethoxy)pyridazin-3-yl]methanamine
CID 63684783

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-octoxypyridazine?
The IUPAC name of 3-(chloromethyl)-6-octoxypyridazine (CID 61269519) is 3-(chloromethyl)-6-octoxypyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-octoxypyridazine?
The canonical SMILES for 3-(chloromethyl)-6-octoxypyridazine is CCCCCCCCOc1ccc(CCl)nn1.
What is the InChIKey of 3-(chloromethyl)-6-octoxypyridazine?
The InChIKey is ZIQZANOPOOZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-10-17-13-9-8-12(11-14)15-16-13/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 3-(chloromethyl)-6-octoxypyridazine?
3-(chloromethyl)-6-octoxypyridazine has a molecular weight of 256.78 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-octoxypyridazine is sourced from PubChem (CID 61269519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).