diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C13H12Br2N2O4 — CID 118286898

IUPACdiethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1nn2cc(Br)cc(Br)c2c1C(=O)OCC
InChIInChI=1S/C13H12Br2N2O4/c1-3-20-12(18)9-10(13(19)21-4-2)16-17-6-7(14)5-8(15)11(9)17/h5-6H,3-4H2,1-2H3
InChIKeyVEZDFXPUPVJQPM-UHFFFAOYSA-N
MW420.06 g/mol
LogP3.21
Rot. Bonds4

About diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate

diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 118286898) has the molecular formula C13H12Br2N2O4 and a molecular weight of 420.06 g/mol. Its IUPAC name is diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID118286898
Molecular FormulaC13H12Br2N2O4
Molecular Weight420.06 g/mol
Exact Mass417.92
IUPAC Namediethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1nn2cc(Br)cc(Br)c2c1C(=O)OCC
InChIInChI=1S/C13H12Br2N2O4/c1-3-20-12(18)9-10(13(19)21-4-2)16-17-6-7(14)5-8(15)11(9)17/h5-6H,3-4H2,1-2H3
InChIKeyVEZDFXPUPVJQPM-UHFFFAOYSA-N
XLogP3.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 131697608
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 118679621
ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 164860766
ethyl 6-amino-3-bromo-2,4-dimethylbenzoate
CID 107575684
triethyl 6-bromo-5-hydroxypyridine-2,3,4-tricarboxylate
CID 71567600
6,7-bis(ethoxycarbonyl)-1-methylimidazo[1,2-b]pyridazin-1-ium-8-olate
CID 10935235
ethyl 2,3,5-tribromobenzoate
CID 112694304
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245

Frequently Asked Questions

What is the IUPAC name of diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 118286898) is diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate is CCOC(=O)c1nn2cc(Br)cc(Br)c2c1C(=O)OCC.
What is the InChIKey of diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is VEZDFXPUPVJQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O4/c1-3-20-12(18)9-10(13(19)21-4-2)16-17-6-7(14)5-8(15)11(9)17/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 420.06 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 118286898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).