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72093-03-9 molecular structure
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3-chloro-2-methylpyridine

ChemBase ID: 70896
Molecular Formular: C6H6ClN
Molecular Mass: 127.57154
Monoisotopic Mass: 127.01887688
SMILES and InChIs

SMILES:
c1(c(cccn1)Cl)C
Canonical SMILES:
Clc1cccnc1C
InChI:
InChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
InChIKey:
YSEYOMUPVMGJPP-UHFFFAOYSA-N

Cite this record

CBID:70896 http://www.chembase.cn/molecule-70896.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-methylpyridine
IUPAC Traditional name
3-chloro-2-methylpyridine
Synonyms
3-Chloro-2-methylpyridine
CAS Number
72093-03-9
MDL Number
MFCD04114121
PubChem SID
162036604
PubChem CID
2762797

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4714658  LogD (pH = 7.4) 1.4907365 
Log P 1.4909883  Molar Refractivity 33.2974 cm3
Polarizability 13.075019 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
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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