methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate

C8H6BrN3O2 — CID 131375104

IUPACmethyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1cnn2nc(Br)ccc12
InChIInChI=1S/C8H6BrN3O2/c1-14-8(13)5-4-10-12-6(5)2-3-7(9)11-12/h2-4H,1H3
InChIKeyHJHOLIXPSKPMAM-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.28
Rot. Bonds1

About methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate

methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate (PubChem CID 131375104) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate
PubChem CID131375104
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Namemethyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1cnn2nc(Br)ccc12
InChIInChI=1S/C8H6BrN3O2/c1-14-8(13)5-4-10-12-6(5)2-3-7(9)11-12/h2-4H,1H3
InChIKeyHJHOLIXPSKPMAM-UHFFFAOYSA-N
XLogP1.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
methyl 7-cyclopropyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 147232876
dimethyl [1,2,4]triazolo[1,5-b]pyridazine-7,8-dicarboxylate
CID 14639061
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160
methyl 6-bromo-2-tert-butylpyridine-3-carboxylate
CID 126628889
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134548276
methyl 4-bromo-1-methylindazole-7-carboxylate
CID 131382955
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate (CID 131375104) is methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate is COC(=O)c1cnn2nc(Br)ccc12.
What is the InChIKey of methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate?
The InChIKey is HJHOLIXPSKPMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-14-8(13)5-4-10-12-6(5)2-3-7(9)11-12/h2-4H,1H3.
What are the key properties of methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate?
methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate has a molecular weight of 256.06 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate is sourced from PubChem (CID 131375104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).