3-bromo-6-(cyclopropylmethoxy)pyridazine

C8H9BrN2O — CID 169494579

IUPAC3-bromo-6-(cyclopropylmethoxy)pyridazine
SMILESBrc1ccc(OCC2CC2)nn1
InChIInChI=1S/C8H9BrN2O/c9-7-3-4-8(11-10-7)12-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyKACQWTUUYSTINL-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.03
Rot. Bonds3

About 3-bromo-6-(cyclopropylmethoxy)pyridazine

3-bromo-6-(cyclopropylmethoxy)pyridazine (PubChem CID 169494579) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 3-bromo-6-(cyclopropylmethoxy)pyridazine.

Molecular Properties

Compound Name3-bromo-6-(cyclopropylmethoxy)pyridazine
PubChem CID169494579
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name3-bromo-6-(cyclopropylmethoxy)pyridazine
SMILESBrc1ccc(OCC2CC2)nn1
InChIInChI=1S/C8H9BrN2O/c9-7-3-4-8(11-10-7)12-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyKACQWTUUYSTINL-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(cyclopentylmethoxy)pyridazin-3-yl]methanamine
CID 66323345
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
2-bromo-6-(piperidin-4-ylmethoxy)pyridine
CID 56831276
2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 163238149
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
[6-[(4-pentanoylcyclohexyl)methoxy]pyridazin-3-yl] butanoate
CID 70444468
3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
CID 47002221
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
[6-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291669
4-bromo-3-(cyclopropylmethoxy)pyridine
CID 90156558
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
3-chloro-6-(2-cyclopropylethoxy)pyridazine
CID 58075185

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(cyclopropylmethoxy)pyridazine?
The IUPAC name of 3-bromo-6-(cyclopropylmethoxy)pyridazine (CID 169494579) is 3-bromo-6-(cyclopropylmethoxy)pyridazine.
What is the SMILES notation for 3-bromo-6-(cyclopropylmethoxy)pyridazine?
The canonical SMILES for 3-bromo-6-(cyclopropylmethoxy)pyridazine is Brc1ccc(OCC2CC2)nn1.
What is the InChIKey of 3-bromo-6-(cyclopropylmethoxy)pyridazine?
The InChIKey is KACQWTUUYSTINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-3-4-8(11-10-7)12-5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 3-bromo-6-(cyclopropylmethoxy)pyridazine?
3-bromo-6-(cyclopropylmethoxy)pyridazine has a molecular weight of 229.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(cyclopropylmethoxy)pyridazine is sourced from PubChem (CID 169494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).