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1196153-91-9 molecular structure
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(6-bromo-2-methylpyridin-3-yl)methanamine

ChemBase ID: 814094
Molecular Formular: C7H9BrN2
Molecular Mass: 201.06376
Monoisotopic Mass: 199.9949103
SMILES and InChIs

SMILES:
C(N)c1c(nc(cc1)Br)C
Canonical SMILES:
Cc1nc(Br)ccc1CN
InChI:
InChI=1S/C7H9BrN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,4,9H2,1H3
InChIKey:
YQDRTXISSOUFNK-UHFFFAOYSA-N

Cite this record

CBID:814094 http://www.chembase.cn/molecule-814094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-bromo-2-methylpyridin-3-yl)methanamine
IUPAC Traditional name
(6-bromo-2-methylpyridin-3-yl)methanamine
Synonyms
(6-bromo-2-methylpyridin-3-yl)methanamine
CAS Number
1196153-91-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36236 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36236 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) -1.9503151  LogD (pH = 7.4) -0.7394266 
Log P 0.98698664  Molar Refractivity 45.431 cm3
Polarizability 17.400627 Å3 Polar Surface Area 38.91 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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