3-(chloromethyl)-6-pyridin-3-yloxypyridazine

C10H8ClN3O — CID 61268782

IUPAC3-(chloromethyl)-6-pyridin-3-yloxypyridazine
SMILESClCc1ccc(Oc2cccnc2)nn1
InChIInChI=1S/C10H8ClN3O/c11-6-8-3-4-10(14-13-8)15-9-2-1-5-12-7-9/h1-5,7H,6H2
InChIKeyCNKXKCIEPSTZSC-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.40
Rot. Bonds3

About 3-(chloromethyl)-6-pyridin-3-yloxypyridazine

3-(chloromethyl)-6-pyridin-3-yloxypyridazine (PubChem CID 61268782) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-(chloromethyl)-6-pyridin-3-yloxypyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-pyridin-3-yloxypyridazine
PubChem CID61268782
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-(chloromethyl)-6-pyridin-3-yloxypyridazine
SMILESClCc1ccc(Oc2cccnc2)nn1
InChIInChI=1S/C10H8ClN3O/c11-6-8-3-4-10(14-13-8)15-9-2-1-5-12-7-9/h1-5,7H,6H2
InChIKeyCNKXKCIEPSTZSC-UHFFFAOYSA-N
XLogP2.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-pyridin-3-yloxypyridazine?
The IUPAC name of 3-(chloromethyl)-6-pyridin-3-yloxypyridazine (CID 61268782) is 3-(chloromethyl)-6-pyridin-3-yloxypyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-pyridin-3-yloxypyridazine?
The canonical SMILES for 3-(chloromethyl)-6-pyridin-3-yloxypyridazine is ClCc1ccc(Oc2cccnc2)nn1.
What is the InChIKey of 3-(chloromethyl)-6-pyridin-3-yloxypyridazine?
The InChIKey is CNKXKCIEPSTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-6-8-3-4-10(14-13-8)15-9-2-1-5-12-7-9/h1-5,7H,6H2.
What are the key properties of 3-(chloromethyl)-6-pyridin-3-yloxypyridazine?
3-(chloromethyl)-6-pyridin-3-yloxypyridazine has a molecular weight of 221.65 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-pyridin-3-yloxypyridazine is sourced from PubChem (CID 61268782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).