5-bromo-3-tert-butylpyridazine

C8H11BrN2 — CID 117106935

IUPAC5-bromo-3-tert-butylpyridazine
SMILESCC(C)(C)c1cc(Br)cnn1
InChIInChI=1S/C8H11BrN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3
InChIKeyKPYHHCGRVFVZRP-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.54
Rot. Bonds

About 5-bromo-3-tert-butylpyridazine

5-bromo-3-tert-butylpyridazine (PubChem CID 117106935) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-bromo-3-tert-butylpyridazine.

Molecular Properties

Compound Name5-bromo-3-tert-butylpyridazine
PubChem CID117106935
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name5-bromo-3-tert-butylpyridazine
SMILESCC(C)(C)c1cc(Br)cnn1
InChIInChI=1S/C8H11BrN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3
InChIKeyKPYHHCGRVFVZRP-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butylpyridazine?
The IUPAC name of 5-bromo-3-tert-butylpyridazine (CID 117106935) is 5-bromo-3-tert-butylpyridazine.
What is the SMILES notation for 5-bromo-3-tert-butylpyridazine?
The canonical SMILES for 5-bromo-3-tert-butylpyridazine is CC(C)(C)c1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-tert-butylpyridazine?
The InChIKey is KPYHHCGRVFVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3.
What are the key properties of 5-bromo-3-tert-butylpyridazine?
5-bromo-3-tert-butylpyridazine has a molecular weight of 215.09 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butylpyridazine is sourced from PubChem (CID 117106935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).