3-tert-butyl-6-chloropyridazine

C8H11ClN2 — CID 13499979

IUPAC3-tert-butyl-6-chloropyridazine
SMILESCC(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3
InChIKeyBMEMBHNMSYYDTO-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.43
Rot. Bonds

About 3-tert-butyl-6-chloropyridazine

3-tert-butyl-6-chloropyridazine (PubChem CID 13499979) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-tert-butyl-6-chloropyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-chloropyridazine
PubChem CID13499979
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-tert-butyl-6-chloropyridazine
SMILESCC(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3
InChIKeyBMEMBHNMSYYDTO-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-6-chloropyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-chloropyridazine?
The IUPAC name of 3-tert-butyl-6-chloropyridazine (CID 13499979) is 3-tert-butyl-6-chloropyridazine.
What is the SMILES notation for 3-tert-butyl-6-chloropyridazine?
The canonical SMILES for 3-tert-butyl-6-chloropyridazine is CC(C)(C)c1ccc(Cl)nn1.
What is the InChIKey of 3-tert-butyl-6-chloropyridazine?
The InChIKey is BMEMBHNMSYYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-6-chloropyridazine?
3-tert-butyl-6-chloropyridazine has a molecular weight of 170.64 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-chloropyridazine is sourced from PubChem (CID 13499979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).