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875293-89-3 molecular structure
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6-chloro-5-methylpyridine-2-carbonitrile

ChemBase ID: 798902
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
n1c(ccc(c1Cl)C)C#N
Canonical SMILES:
N#Cc1ccc(c(n1)Cl)C
InChI:
InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)10-7(5)8/h2-3H,1H3
InChIKey:
XUAHTIHTHZLYFK-UHFFFAOYSA-N

Cite this record

CBID:798902 http://www.chembase.cn/molecule-798902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-methylpyridine-2-carbonitrile
IUPAC Traditional name
6-chloro-5-methylpyridine-2-carbonitrile
Synonyms
6-chloro-5-methyl-pyridine-2-carbonitrile
CAS Number
875293-89-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12625 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12625 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.335163  LogD (pH = 7.4) 2.335163 
Log P 2.335163  Molar Refractivity 40.158 cm3
Polarizability 14.978761 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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