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38875-76-2 molecular structure
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4-chloro-6-methylpyridine-3-carbonitrile

ChemBase ID: 799594
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
c1(c(cnc(c1)C)C#N)Cl
Canonical SMILES:
Cc1cc(Cl)c(cn1)C#N
InChI:
InChI=1S/C7H5ClN2/c1-5-2-7(8)6(3-9)4-10-5/h2,4H,1H3
InChIKey:
WAYNDJKNBVJWPH-UHFFFAOYSA-N

Cite this record

CBID:799594 http://www.chembase.cn/molecule-799594.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methylpyridine-3-carbonitrile
IUPAC Traditional name
4-chloro-6-methylpyridine-3-carbonitrile
Synonyms
4-chloro-6-methylnicotinonitrile
CAS Number
38875-76-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14392 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14392 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) 1.3470571  LogD (pH = 7.4) 1.347084 
Log P 1.3470844  Molar Refractivity 39.019 cm3
Polarizability 14.932768 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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