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64614-47-7 molecular structure
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2-chloro-5-(pyrrolidine-1-carbonyl)pyridine

ChemBase ID: 57298
Molecular Formular: C10H11ClN2O
Molecular Mass: 210.66014
Monoisotopic Mass: 210.05599066
SMILES and InChIs

SMILES:
C(=O)(c1cnc(cc1)Cl)N1CCCC1
Canonical SMILES:
Clc1ccc(cn1)C(=O)N1CCCC1
InChI:
InChI=1S/C10H11ClN2O/c11-9-4-3-8(7-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKey:
XLCWRTHBRZQKJL-UHFFFAOYSA-N

Cite this record

CBID:57298 http://www.chembase.cn/molecule-57298.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-(pyrrolidine-1-carbonyl)pyridine
IUPAC Traditional name
2-chloro-5-(pyrrolidine-1-carbonyl)pyridine
Synonyms
2-chloro-5-(1-pyrrolidinylcarbonyl)pyridine
2-Chloro-5-(pyrrolidin-1-ylcarbonyl)pyridine
CAS Number
64614-47-7
MDL Number
MFCD03750291
PubChem SID
162062061
PubChem CID
857502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 857502 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2835845  LogD (pH = 7.4) 1.2835851 
Log P 1.2835852  Molar Refractivity 56.18 cm3
Polarizability 20.868961 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.89 expand Show data source
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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