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20712-16-7 molecular structure
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5-chloro-3-methylpyridin-2-amine

ChemBase ID: 21421
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
c1(c(cc(cn1)Cl)C)N
Canonical SMILES:
Clc1cnc(c(c1)C)N
InChI:
InChI=1S/C6H7ClN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
InChIKey:
QTZBTBLHYPSFMG-UHFFFAOYSA-N

Cite this record

CBID:21421 http://www.chembase.cn/molecule-21421.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-3-methylpyridin-2-amine
IUPAC Traditional name
5-chloro-3-methylpyridin-2-amine
Synonyms
2-Amino-3-methyl-5-chloropyridine
2-Amino-5-chloro-3-methylpyridine
2-AMINO-5-CHLORO-3-PICOLINE
CAS Number
20712-16-7
MDL Number
MFCD00129030
PubChem SID
160984728
PubChem CID
350232

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4460057  LogD (pH = 7.4) 1.6354741 
Log P 1.638571  Molar Refractivity 38.761 cm3
Polarizability 14.218244 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
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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