methyl pyrrolo[1,2-b]pyridazine-7-carboxylate

C9H8N2O2 — CID 83381157

IUPACmethyl pyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCOC(=O)c1ccc2cccnn12
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8-5-4-7-3-2-6-10-11(7)8/h2-6H,1H3
InChIKeyULBLGBGVOOPBQA-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.12
Rot. Bonds1

About methyl pyrrolo[1,2-b]pyridazine-7-carboxylate

methyl pyrrolo[1,2-b]pyridazine-7-carboxylate (PubChem CID 83381157) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl pyrrolo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Namemethyl pyrrolo[1,2-b]pyridazine-7-carboxylate
PubChem CID83381157
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Namemethyl pyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCOC(=O)c1ccc2cccnn12
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8-5-4-7-3-2-6-10-11(7)8/h2-6H,1H3
InChIKeyULBLGBGVOOPBQA-UHFFFAOYSA-N
XLogP1.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl pyrrolo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of methyl pyrrolo[1,2-b]pyridazine-7-carboxylate (CID 83381157) is methyl pyrrolo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for methyl pyrrolo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for methyl pyrrolo[1,2-b]pyridazine-7-carboxylate is COC(=O)c1ccc2cccnn12.
What is the InChIKey of methyl pyrrolo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is ULBLGBGVOOPBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-9(12)8-5-4-7-3-2-6-10-11(7)8/h2-6H,1H3.
What are the key properties of methyl pyrrolo[1,2-b]pyridazine-7-carboxylate?
methyl pyrrolo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 176.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 83381157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).