methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate

C9H9AlN2O2 — CID 154561873

IUPACmethyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc([AlH2])ccc12
InChIInChI=1S/C9H7N2O2.Al.2H/c1-13-9(12)7-6-10-11-5-3-2-4-8(7)11;;;/h2,4-6H,1H3;;;
InChIKeyYPCJYBKKYNBQPH-UHFFFAOYSA-N
MW204.16 g/mol
LogP-0.62
Rot. Bonds1

About methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 154561873) has the molecular formula C9H9AlN2O2 and a molecular weight of 204.16 g/mol. Its IUPAC name is methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID154561873
Molecular FormulaC9H9AlN2O2
Molecular Weight204.16 g/mol
Exact Mass204.05
IUPAC Namemethyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc([AlH2])ccc12
InChIInChI=1S/C9H7N2O2.Al.2H/c1-13-9(12)7-6-10-11-5-3-2-4-8(7)11;;;/h2,4-6H,1H3;;;
InChIKeyYPCJYBKKYNBQPH-UHFFFAOYSA-N
XLogP-0.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 154561873) is methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc([AlH2])ccc12.
What is the InChIKey of methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YPCJYBKKYNBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O2.Al.2H/c1-13-9(12)7-6-10-11-5-3-2-4-8(7)11;;;/h2,4-6H,1H3;;;.
What are the key properties of methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 204.16 g/mol, XLogP of -0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 154561873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).