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36340-61-1 molecular structure
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4-chloro-6-methylpyridin-2-amine

ChemBase ID: 70851
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
c1(cc(cc(n1)C)Cl)N
Canonical SMILES:
Clc1cc(C)nc(c1)N
InChI:
InChI=1S/C6H7ClN2/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKey:
IKKMKJOVXQEEHS-UHFFFAOYSA-N

Cite this record

CBID:70851 http://www.chembase.cn/molecule-70851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methylpyridin-2-amine
IUPAC Traditional name
4-chloro-6-methylpyridin-2-amine
Synonyms
2-Amino-4-chloro-6-picoline
CAS Number
36340-61-1
MDL Number
MFCD00800671
PubChem SID
162036559
PubChem CID
19050509

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19050509 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3026825  LogD (pH = 7.4) 1.211062 
Log P 1.2565198  Molar Refractivity 38.3113 cm3
Polarizability 14.219398 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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