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1190198-20-9 molecular structure
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3-chloro-2-methoxypyridin-4-amine

ChemBase ID: 45114
Molecular Formular: C6H7ClN2O
Molecular Mass: 158.58558
Monoisotopic Mass: 158.02469053
SMILES and InChIs

SMILES:
c1(c(nccc1N)OC)Cl
Canonical SMILES:
COc1nccc(c1Cl)N
InChI:
InChI=1S/C6H7ClN2O/c1-10-6-5(7)4(8)2-3-9-6/h2-3H,1H3,(H2,8,9)
InChIKey:
QYPDHIZVPNIDEZ-UHFFFAOYSA-N

Cite this record

CBID:45114 http://www.chembase.cn/molecule-45114.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-methoxypyridin-4-amine
IUPAC Traditional name
3-chloro-2-methoxypyridin-4-amine
Synonyms
3-Chloro-2-methoxy-4-pyridinamine
CAS Number
1190198-20-9
MDL Number
MFCD12025480
PubChem SID
162049877
PubChem CID
15334556

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15334556 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7806095  LogD (pH = 7.4) 0.9644958 
Log P 0.9674784  Molar Refractivity 40.183 cm3
Polarizability 15.045526 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
LMS °C expand Show data source
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
>97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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