ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate

C10H9BrN2O2 — CID 53249841

IUPACethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3
InChIKeyLJKZKCQPVABNLG-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

About ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 53249841) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID53249841
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3
InChIKeyLJKZKCQPVABNLG-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate (CID 53249841) is ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(Br)cc12.
What is the InChIKey of ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is LJKZKCQPVABNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 53249841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).