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56946-65-7 molecular structure
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2,4-dichloro-5H,6H,7H-cyclopenta[b]pyridine

ChemBase ID: 292856
Molecular Formular: C8H7Cl2N
Molecular Mass: 188.05388
Monoisotopic Mass: 186.99555459
SMILES and InChIs

SMILES:
Clc1nc2c(CCC2)c(Cl)c1
Canonical SMILES:
Clc1cc(Cl)c2c(n1)CCC2
InChI:
InChI=1S/C8H7Cl2N/c9-6-4-8(10)11-7-3-1-2-5(6)7/h4H,1-3H2
InChIKey:
JGQRPOZAIBSOHE-UHFFFAOYSA-N

Cite this record

CBID:292856 http://www.chembase.cn/molecule-292856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-5H,6H,7H-cyclopenta[b]pyridine
IUPAC Traditional name
2,4-dichloro-5H,6H,7H-cyclopenta[b]pyridine
Synonyms
2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CAS Number
56946-65-7
PubChem SID
180678387
PubChem CID
12214817

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241728 Please log in.
Data Source Data ID
PubChem 12214817 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0654283  LogD (pH = 7.4) 3.0654414 
Log P 3.0654414  Molar Refractivity 47.0294 cm3
Polarizability 17.91308 Å3 Polar Surface Area 12.89 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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