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36936-27-3 molecular structure
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5-chloro-4-methylpyridin-2-amine

ChemBase ID: 64731
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Cl)C)N
Canonical SMILES:
Nc1ncc(c(c1)C)Cl
InChI:
InChI=1S/C6H7ClN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
InChIKey:
DGRCJSWXMGENMG-UHFFFAOYSA-N

Cite this record

CBID:64731 http://www.chembase.cn/molecule-64731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-4-methylpyridin-2-amine
IUPAC Traditional name
5-chloro-4-methylpyridin-2-amine
Synonyms
2-Amino-5-chloro-4-methylpyridine
5-Chloro-4-methylpyridin-2-amine
2-Amino-5-chloro-4-picoline
2-Amino-5-chloro-4-picoline
CAS Number
36936-27-3
MDL Number
MFCD06410759
PubChem SID
162030470
PubChem CID
318186

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2051847  LogD (pH = 7.4) 1.6287585 
Log P 1.638571  Molar Refractivity 38.761 cm3
Polarizability 14.216025 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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