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55899-30-4 molecular structure
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ethyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate

ChemBase ID: 292727
Molecular Formular: C10H9BrN2O2
Molecular Mass: 269.09466
Monoisotopic Mass: 267.98473954
SMILES and InChIs

SMILES:
CCOC(=O)c1c2ccc(Br)cn2nc1
Canonical SMILES:
CCOC(=O)c1cnn2c1ccc(c2)Br
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-12-13-6-7(11)3-4-9(8)13/h3-6H,2H2,1H3
InChIKey:
JWXJCAUKPCUMLO-UHFFFAOYSA-N

Cite this record

CBID:292727 http://www.chembase.cn/molecule-292727.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate
IUPAC Traditional name
ethyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate
Synonyms
Ethyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CAS Number
55899-30-4
PubChem SID
180678258
PubChem CID
12208504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
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Data Source Data ID
PubChem 12208504 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.632214  LogD (pH = 7.4) 2.6322205 
Log P 2.6322205  Molar Refractivity 70.3746 cm3
Polarizability 23.08048 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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