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1221153-79-2 molecular structure
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5-chloro-1-(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine

ChemBase ID: 65866
Molecular Formular: C10H11ClN2
Molecular Mass: 194.66074
Monoisotopic Mass: 194.06107604
SMILES and InChIs

SMILES:
c1c2c(cnc1Cl)n(cc2)C(C)C
Canonical SMILES:
Clc1ncc2c(c1)ccn2C(C)C
InChI:
InChI=1S/C10H11ClN2/c1-7(2)13-4-3-8-5-10(11)12-6-9(8)13/h3-7H,1-2H3
InChIKey:
LZAVVXYESLVJMB-UHFFFAOYSA-N

Cite this record

CBID:65866 http://www.chembase.cn/molecule-65866.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-1-(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine
IUPAC Traditional name
5-chloro-1-isopropylpyrrolo[2,3-c]pyridine
Synonyms
5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridine
CAS Number
1221153-79-2
MDL Number
MFCD21336707
PubChem SID
162031605
PubChem CID
58367881

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 58367881 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.675588  LogD (pH = 7.4) 2.675616 
Log P 2.6756163  Molar Refractivity 54.9178 cm3
Polarizability 22.01337 Å3 Polar Surface Area 17.82 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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