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662117-63-7 molecular structure
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5-chloro-4-methoxypyridin-2-amine

ChemBase ID: 801150
Molecular Formular: C6H7ClN2O
Molecular Mass: 158.58558
Monoisotopic Mass: 158.02469053
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Cl)OC)N
Canonical SMILES:
COc1cc(N)ncc1Cl
InChI:
InChI=1S/C6H7ClN2O/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3,(H2,8,9)
InChIKey:
FXVNVJFNMIOKOL-UHFFFAOYSA-N

Cite this record

CBID:801150 http://www.chembase.cn/molecule-801150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-4-methoxypyridin-2-amine
IUPAC Traditional name
5-chloro-4-methoxypyridin-2-amine
Synonyms
5-CHLORO-4-METHOXY-2-PYRIDINAMINE
CAS Number
662117-63-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17466 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17466 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.15656948  LogD (pH = 7.4) 0.93243957 
Log P 0.9674784  Molar Refractivity 40.183 cm3
Polarizability 15.028698 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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