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225385-05-7 molecular structure
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2-bromo-7-chlorothieno[3,2-b]pyridine

ChemBase ID: 63481
Molecular Formular: C7H3BrClNS
Molecular Mass: 248.52742
Monoisotopic Mass: 246.88580978
SMILES and InChIs

SMILES:
c1c(sc2c(ccnc12)Cl)Br
Canonical SMILES:
Brc1cc2c(s1)c(Cl)ccn2
InChI:
InChI=1S/C7H3BrClNS/c8-6-3-5-7(11-6)4(9)1-2-10-5/h1-3H
InChIKey:
XMZQZXNHMUDHNZ-UHFFFAOYSA-N

Cite this record

CBID:63481 http://www.chembase.cn/molecule-63481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-7-chlorothieno[3,2-b]pyridine
IUPAC Traditional name
2-bromo-7-chlorothieno[3,2-b]pyridine
Synonyms
2-Bromo-7-chloro-thieno[3,2-b]pyridine
CAS Number
225385-05-7
MDL Number
MFCD16659143
PubChem SID
162029220
PubChem CID
18382774

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 18382774 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5561762  LogD (pH = 7.4) 3.556241 
Log P 3.5562418  Molar Refractivity 48.4567 cm3
Polarizability 20.390585 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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