3-bromo-6-ethylpyridazine

C6H7BrN2 — CID 19797309

IUPAC3-bromo-6-ethylpyridazine
SMILESCCc1ccc(Br)nn1
InChIInChI=1S/C6H7BrN2/c1-2-5-3-4-6(7)9-8-5/h3-4H,2H2,1H3
InChIKeyRHNVBCZIMHPLIV-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.80
Rot. Bonds1

About 3-bromo-6-ethylpyridazine

3-bromo-6-ethylpyridazine (PubChem CID 19797309) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-6-ethylpyridazine.

Molecular Properties

Compound Name3-bromo-6-ethylpyridazine
PubChem CID19797309
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-bromo-6-ethylpyridazine
SMILESCCc1ccc(Br)nn1
InChIInChI=1S/C6H7BrN2/c1-2-5-3-4-6(7)9-8-5/h3-4H,2H2,1H3
InChIKeyRHNVBCZIMHPLIV-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethylpyridazine?
The IUPAC name of 3-bromo-6-ethylpyridazine (CID 19797309) is 3-bromo-6-ethylpyridazine.
What is the SMILES notation for 3-bromo-6-ethylpyridazine?
The canonical SMILES for 3-bromo-6-ethylpyridazine is CCc1ccc(Br)nn1.
What is the InChIKey of 3-bromo-6-ethylpyridazine?
The InChIKey is RHNVBCZIMHPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-2-5-3-4-6(7)9-8-5/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-6-ethylpyridazine?
3-bromo-6-ethylpyridazine has a molecular weight of 187.04 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethylpyridazine is sourced from PubChem (CID 19797309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).