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

C12H11BrN2O5 — CID 156872686

IUPACdimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(OC)cc(Br)cc2c1C(=O)OC
InChIInChI=1S/C12H11BrN2O5/c1-18-8-5-6(13)4-7-9(11(16)19-2)10(12(17)20-3)14-15(7)8/h4-5H,1-3H3
InChIKeyDMXSLQDSICMYEC-UHFFFAOYSA-N
MW343.13 g/mol
LogP1.68
Rot. Bonds3

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

dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 156872686) has the molecular formula C12H11BrN2O5 and a molecular weight of 343.13 g/mol. Its IUPAC name is dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID156872686
Molecular FormulaC12H11BrN2O5
Molecular Weight343.13 g/mol
Exact Mass341.99
IUPAC Namedimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(OC)cc(Br)cc2c1C(=O)OC
InChIInChI=1S/C12H11BrN2O5/c1-18-8-5-6(13)4-7-9(11(16)19-2)10(12(17)20-3)14-15(7)8/h4-5H,1-3H3
InChIKeyDMXSLQDSICMYEC-UHFFFAOYSA-N
XLogP1.68
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 156872686) is dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2c(OC)cc(Br)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is DMXSLQDSICMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O5/c1-18-8-5-6(13)4-7-9(11(16)19-2)10(12(17)20-3)14-15(7)8/h4-5H,1-3H3.
What are the key properties of dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 343.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 156872686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).