4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine

C10H12BrClN2O — CID 117105414

IUPAC4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine
SMILESClc1nnc(CC2CCOCC2)cc1Br
InChIInChI=1S/C10H12BrClN2O/c11-9-6-8(13-14-10(9)12)5-7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyARIKLSKUBNPIBJ-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.86
Rot. Bonds2

About 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine

4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine (PubChem CID 117105414) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine
PubChem CID117105414
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine
SMILESClc1nnc(CC2CCOCC2)cc1Br
InChIInChI=1S/C10H12BrClN2O/c11-9-6-8(13-14-10(9)12)5-7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyARIKLSKUBNPIBJ-UHFFFAOYSA-N
XLogP2.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
CID 117105406
3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine
CID 114837736
4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 117105463
2-(oxan-4-ylmethyl)-1,3,4-oxadiazole
CID 141181283
4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
CID 117105528
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136187
2-(oxan-4-ylmethyl)pyrimidine
CID 67123778
5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine
CID 157325595
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136060
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
3-bromo-5-methyl-1-(oxan-4-ylmethyl)pyrazole
CID 162723710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine (CID 117105414) is 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine is Clc1nnc(CC2CCOCC2)cc1Br.
What is the InChIKey of 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine?
The InChIKey is ARIKLSKUBNPIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-9-6-8(13-14-10(9)12)5-7-1-3-15-4-2-7/h6-7H,1-5H2.
What are the key properties of 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine?
4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine has a molecular weight of 291.58 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine is sourced from PubChem (CID 117105414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).