dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C11H8Br2N2O4 — CID 87273869

IUPACdimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(Br)cc(Br)cc2c1C(=O)OC
InChIInChI=1S/C11H8Br2N2O4/c1-18-10(16)8-6-3-5(12)4-7(13)15(6)14-9(8)11(17)19-2/h3-4H,1-2H3
InChIKeyUFQJIHDMNGQXQG-UHFFFAOYSA-N
MW392.00 g/mol
LogP2.43
Rot. Bonds2

About dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 87273869) has the molecular formula C11H8Br2N2O4 and a molecular weight of 392.00 g/mol. Its IUPAC name is dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID87273869
Molecular FormulaC11H8Br2N2O4
Molecular Weight392.00 g/mol
Exact Mass389.89
IUPAC Namedimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(Br)cc(Br)cc2c1C(=O)OC
InChIInChI=1S/C11H8Br2N2O4/c1-18-10(16)8-6-3-5(12)4-7(13)15(6)14-9(8)11(17)19-2/h3-4H,1-2H3
InChIKeyUFQJIHDMNGQXQG-UHFFFAOYSA-N
XLogP2.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.00
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 87273869) is dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2c(Br)cc(Br)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is UFQJIHDMNGQXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O4/c1-18-10(16)8-6-3-5(12)4-7(13)15(6)14-9(8)11(17)19-2/h3-4H,1-2H3.
What are the key properties of dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 392.00 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 87273869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).