4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde

C12H13BrN2O2 — CID 167309719

IUPAC4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCCOc1cc(Br)c2c(C=O)c(CC)nn2c1
InChIInChI=1S/C12H13BrN2O2/c1-3-11-9(7-16)12-10(13)5-8(17-4-2)6-15(12)14-11/h5-7H,3-4H2,1-2H3
InChIKeyJEXFGSISHWKLGJ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.87
Rot. Bonds4

About 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde

4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 167309719) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID167309719
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCCOc1cc(Br)c2c(C=O)c(CC)nn2c1
InChIInChI=1S/C12H13BrN2O2/c1-3-11-9(7-16)12-10(13)5-8(17-4-2)6-15(12)14-11/h5-7H,3-4H2,1-2H3
InChIKeyJEXFGSISHWKLGJ-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 167309719) is 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde is CCOc1cc(Br)c2c(C=O)c(CC)nn2c1.
What is the InChIKey of 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is JEXFGSISHWKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-11-9(7-16)12-10(13)5-8(17-4-2)6-15(12)14-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde?
4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 297.15 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 167309719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).