methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate

C11H11BrN2O3 — CID 172615428

IUPACmethyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate
SMILESCOCc1cc2c(C(=O)OC)ccnn2c1Br
InChIInChI=1S/C11H11BrN2O3/c1-16-6-7-5-9-8(11(15)17-2)3-4-13-14(9)10(7)12/h3-5H,6H2,1-2H3
InChIKeyZCFYTIAODBQOEB-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.03
Rot. Bonds3

About methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate

methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate (PubChem CID 172615428) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate
PubChem CID172615428
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Namemethyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate
SMILESCOCc1cc2c(C(=O)OC)ccnn2c1Br
InChIInChI=1S/C11H11BrN2O3/c1-16-6-7-5-9-8(11(15)17-2)3-4-13-14(9)10(7)12/h3-5H,6H2,1-2H3
InChIKeyZCFYTIAODBQOEB-UHFFFAOYSA-N
XLogP2.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 4-bromo-3-(methoxymethyl)benzoate
CID 58554220
methyl 7-(methoxymethyl)-6-morpholin-4-yl-1,5-naphthyridine-4-carboxylate
CID 166801121
methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate
CID 131375104
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
methyl 5-bromo-6-(methoxymethyl)-1H-indole-3-carboxylate
CID 67695947
methyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 141364137
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 2-bromo-5-hydrazinylbenzoate
CID 130053361

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate?
The IUPAC name of methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate (CID 172615428) is methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate.
What is the SMILES notation for methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate?
The canonical SMILES for methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate is COCc1cc2c(C(=O)OC)ccnn2c1Br.
What is the InChIKey of methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate?
The InChIKey is ZCFYTIAODBQOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-16-6-7-5-9-8(11(15)17-2)3-4-13-14(9)10(7)12/h3-5H,6H2,1-2H3.
What are the key properties of methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate?
methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate has a molecular weight of 299.12 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate is sourced from PubChem (CID 172615428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).