3-bromo-5-cyclohexylpyridazine

C10H13BrN2 — CID 82387660

IUPAC3-bromo-5-cyclohexylpyridazine
SMILESBrc1cc(C2CCCCC2)cnn1
InChIInChI=1S/C10H13BrN2/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyPQBYTZSSWQKNTJ-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.29
Rot. Bonds1

About 3-bromo-5-cyclohexylpyridazine

3-bromo-5-cyclohexylpyridazine (PubChem CID 82387660) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-5-cyclohexylpyridazine.

Molecular Properties

Compound Name3-bromo-5-cyclohexylpyridazine
PubChem CID82387660
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-5-cyclohexylpyridazine
SMILESBrc1cc(C2CCCCC2)cnn1
InChIInChI=1S/C10H13BrN2/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyPQBYTZSSWQKNTJ-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-cyclopropylpyridazine
CID 118611458
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2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
CID 170013133
5-cyclohexylpyridine-3-carbaldehyde
CID 82404419
2-bromo-5-cycloheptyl-1,3,4-thiadiazole
CID 63383342
2,3-dibromo-5-cyclopropylpyridine
CID 130053485
5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine
CID 163230108
2-bromo-4-cyclohexylphenol
CID 519121
1-bromo-4-cyclohexyl-2-fluorobenzene
CID 56992672
5-chloro-3-cyclohexyl-1,2,4-triazine
CID 116823809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclohexylpyridazine?
The IUPAC name of 3-bromo-5-cyclohexylpyridazine (CID 82387660) is 3-bromo-5-cyclohexylpyridazine.
What is the SMILES notation for 3-bromo-5-cyclohexylpyridazine?
The canonical SMILES for 3-bromo-5-cyclohexylpyridazine is Brc1cc(C2CCCCC2)cnn1.
What is the InChIKey of 3-bromo-5-cyclohexylpyridazine?
The InChIKey is PQBYTZSSWQKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-bromo-5-cyclohexylpyridazine?
3-bromo-5-cyclohexylpyridazine has a molecular weight of 241.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclohexylpyridazine is sourced from PubChem (CID 82387660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).