3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine

C9H9Cl2FN2 — CID 155268287

IUPAC3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine
SMILESFC1(c2cc(Cl)nnc2Cl)CCCC1
InChIInChI=1S/C9H9Cl2FN2/c10-7-5-6(8(11)14-13-7)9(12)3-1-2-4-9/h5H,1-4H2
InChIKeySPTDFQOQYZMURQ-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.52
Rot. Bonds1

About 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine

3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine (PubChem CID 155268287) has the molecular formula C9H9Cl2FN2 and a molecular weight of 235.09 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine
PubChem CID155268287
Molecular FormulaC9H9Cl2FN2
Molecular Weight235.09 g/mol
Exact Mass234.01
IUPAC Name3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine
SMILESFC1(c2cc(Cl)nnc2Cl)CCCC1
InChIInChI=1S/C9H9Cl2FN2/c10-7-5-6(8(11)14-13-7)9(12)3-1-2-4-9/h5H,1-4H2
InChIKeySPTDFQOQYZMURQ-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine (CID 155268287) is 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine is FC1(c2cc(Cl)nnc2Cl)CCCC1.
What is the InChIKey of 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine?
The InChIKey is SPTDFQOQYZMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2/c10-7-5-6(8(11)14-13-7)9(12)3-1-2-4-9/h5H,1-4H2.
What are the key properties of 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine?
3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine has a molecular weight of 235.09 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(1-fluorocyclopentyl)pyridazine is sourced from PubChem (CID 155268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).