methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate

C11H11BrN2O3 — CID 134548276

IUPACmethyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(OCCBr)cc12
InChIInChI=1S/C11H11BrN2O3/c1-16-11(15)9-7-13-14-4-2-8(6-10(9)14)17-5-3-12/h2,4,6-7H,3,5H2,1H3
InChIKeyYANKMJLVEIZZHE-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.89
Rot. Bonds4

About methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 134548276) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID134548276
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Namemethyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(OCCBr)cc12
InChIInChI=1S/C11H11BrN2O3/c1-16-11(15)9-7-13-14-4-2-8(6-10(9)14)17-5-3-12/h2,4,6-7H,3,5H2,1H3
InChIKeyYANKMJLVEIZZHE-UHFFFAOYSA-N
XLogP1.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68716440
5-(2-hydroxy-3-methoxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90284857
1-[5-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 163793421
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656041
dimethyl 4-(7-bromoheptoxy)benzene-1,2-dicarboxylate
CID 167279907
methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831948
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 134548276) is methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(OCCBr)cc12.
What is the InChIKey of methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YANKMJLVEIZZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-16-11(15)9-7-13-14-4-2-8(6-10(9)14)17-5-3-12/h2,4,6-7H,3,5H2,1H3.
What are the key properties of methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 299.12 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 134548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).