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

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Related Compounds

methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 146558753
methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051922
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994
methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 86626630
methyl 3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 166128420
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
methyl 6-bromopyrazolo[1,5-b]pyridazine-3-carboxylate
CID 131375104

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).