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1209459-63-1 molecular structure
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2-chloro-3-(pyrrolidin-1-yl)pyrazine

ChemBase ID: 59324
Molecular Formular: C8H10ClN3
Molecular Mass: 183.6381
Monoisotopic Mass: 183.05632502
SMILES and InChIs

SMILES:
c1cnc(c(n1)Cl)N1CCCC1
Canonical SMILES:
Clc1nccnc1N1CCCC1
InChI:
InChI=1S/C8H10ClN3/c9-7-8(11-4-3-10-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2
InChIKey:
YNPNSGOWGHKGGA-UHFFFAOYSA-N

Cite this record

CBID:59324 http://www.chembase.cn/molecule-59324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-(pyrrolidin-1-yl)pyrazine
IUPAC Traditional name
2-chloro-3-(pyrrolidin-1-yl)pyrazine
Synonyms
2-Chloro-3-pyrrolidin-1-ylpyrazine
2-chloro-3-(1-pyrrolidinyl)pyrazine
CAS Number
1209459-63-1
MDL Number
MFCD14702671
PubChem SID
162064087
PubChem CID
51072290

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 51072290 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4704064  LogD (pH = 7.4) 1.4704214 
Log P 1.4704217  Molar Refractivity 49.8934 cm3
Polarizability 18.28995 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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