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1256819-16-5 molecular structure
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5-chloro-2-methylpyridine-3-carbonitrile

ChemBase ID: 292920
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
N#Cc1c(C)ncc(Cl)c1
Canonical SMILES:
N#Cc1cc(Cl)cnc1C
InChI:
InChI=1S/C7H5ClN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,1H3
InChIKey:
VBUXHVXTMHAYNT-UHFFFAOYSA-N

Cite this record

CBID:292920 http://www.chembase.cn/molecule-292920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methylpyridine-3-carbonitrile
IUPAC Traditional name
5-chloro-2-methylpyridine-3-carbonitrile
Synonyms
5-Chloro-2-methylnicotinonitrile
CAS Number
1256819-16-5
PubChem SID
180678451
PubChem CID
68054392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241798 Please log in.
Data Source Data ID
PubChem 68054392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3470808  LogD (pH = 7.4) 1.3470844 
Log P 1.3470844  Molar Refractivity 39.019 cm3
Polarizability 14.925845 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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