4-butan-2-yl-3,6-dichloropyridazine

C8H10Cl2N2 — CID 10878279

IUPAC4-butan-2-yl-3,6-dichloropyridazine
SMILESCCC(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-5(2)6-4-7(9)11-12-8(6)10/h4-5H,3H2,1-2H3
InChIKeyJSXDYEJINQAIDI-UHFFFAOYSA-N
MW205.09 g/mol
LogP3.30
Rot. Bonds2

About 4-butan-2-yl-3,6-dichloropyridazine

4-butan-2-yl-3,6-dichloropyridazine (PubChem CID 10878279) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-butan-2-yl-3,6-dichloropyridazine.

Molecular Properties

Compound Name4-butan-2-yl-3,6-dichloropyridazine
PubChem CID10878279
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-butan-2-yl-3,6-dichloropyridazine
SMILESCCC(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-5(2)6-4-7(9)11-12-8(6)10/h4-5H,3H2,1-2H3
InChIKeyJSXDYEJINQAIDI-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,6-dichloropyridazine?
The IUPAC name of 4-butan-2-yl-3,6-dichloropyridazine (CID 10878279) is 4-butan-2-yl-3,6-dichloropyridazine.
What is the SMILES notation for 4-butan-2-yl-3,6-dichloropyridazine?
The canonical SMILES for 4-butan-2-yl-3,6-dichloropyridazine is CCC(C)c1cc(Cl)nnc1Cl.
What is the InChIKey of 4-butan-2-yl-3,6-dichloropyridazine?
The InChIKey is JSXDYEJINQAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-3-5(2)6-4-7(9)11-12-8(6)10/h4-5H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-3,6-dichloropyridazine?
4-butan-2-yl-3,6-dichloropyridazine has a molecular weight of 205.09 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,6-dichloropyridazine is sourced from PubChem (CID 10878279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).