3-tert-butyl-5-chloropyridazine

C8H11ClN2 — CID 117106928

IUPAC3-tert-butyl-5-chloropyridazine
SMILESCC(C)(C)c1cc(Cl)cnn1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3
InChIKeyCUTSJTUUGPSMQX-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.43
Rot. Bonds

About 3-tert-butyl-5-chloropyridazine

3-tert-butyl-5-chloropyridazine (PubChem CID 117106928) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-tert-butyl-5-chloropyridazine.

Molecular Properties

Compound Name3-tert-butyl-5-chloropyridazine
PubChem CID117106928
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-tert-butyl-5-chloropyridazine
SMILESCC(C)(C)c1cc(Cl)cnn1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3
InChIKeyCUTSJTUUGPSMQX-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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloropyridazine?
The IUPAC name of 3-tert-butyl-5-chloropyridazine (CID 117106928) is 3-tert-butyl-5-chloropyridazine.
What is the SMILES notation for 3-tert-butyl-5-chloropyridazine?
The canonical SMILES for 3-tert-butyl-5-chloropyridazine is CC(C)(C)c1cc(Cl)cnn1.
What is the InChIKey of 3-tert-butyl-5-chloropyridazine?
The InChIKey is CUTSJTUUGPSMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-5-chloropyridazine?
3-tert-butyl-5-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-5-chloropyridazine is sourced from PubChem (CID 117106928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).