5-chloro-3-(2,2-dimethylpropyl)pyridazine

C9H13ClN2 — CID 117106889

IUPAC5-chloro-3-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1cc(Cl)cnn1
InChIInChI=1S/C9H13ClN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3
InChIKeyCJANVOKKHBVJGM-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.72
Rot. Bonds1

About 5-chloro-3-(2,2-dimethylpropyl)pyridazine

5-chloro-3-(2,2-dimethylpropyl)pyridazine (PubChem CID 117106889) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-chloro-3-(2,2-dimethylpropyl)pyridazine.

Molecular Properties

Compound Name5-chloro-3-(2,2-dimethylpropyl)pyridazine
PubChem CID117106889
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-chloro-3-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1cc(Cl)cnn1
InChIInChI=1S/C9H13ClN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3
InChIKeyCJANVOKKHBVJGM-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,2-dimethylpropyl)pyridazine?
The IUPAC name of 5-chloro-3-(2,2-dimethylpropyl)pyridazine (CID 117106889) is 5-chloro-3-(2,2-dimethylpropyl)pyridazine.
What is the SMILES notation for 5-chloro-3-(2,2-dimethylpropyl)pyridazine?
The canonical SMILES for 5-chloro-3-(2,2-dimethylpropyl)pyridazine is CC(C)(C)Cc1cc(Cl)cnn1.
What is the InChIKey of 5-chloro-3-(2,2-dimethylpropyl)pyridazine?
The InChIKey is CJANVOKKHBVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-chloro-3-(2,2-dimethylpropyl)pyridazine?
5-chloro-3-(2,2-dimethylpropyl)pyridazine has a molecular weight of 184.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,2-dimethylpropyl)pyridazine is sourced from PubChem (CID 117106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).