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1060815-70-4 molecular structure
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(6-bromo-2-chloropyridin-3-yl)methanamine

ChemBase ID: 813714
Molecular Formular: C6H6BrClN2
Molecular Mass: 221.48224
Monoisotopic Mass: 219.94028788
SMILES and InChIs

SMILES:
C(N)c1c(nc(cc1)Br)Cl
Canonical SMILES:
NCc1ccc(nc1Cl)Br
InChI:
InChI=1S/C6H6BrClN2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H,3,9H2
InChIKey:
GQYYRNGHDVXZSK-UHFFFAOYSA-N

Cite this record

CBID:813714 http://www.chembase.cn/molecule-813714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-bromo-2-chloropyridin-3-yl)methanamine
IUPAC Traditional name
(6-bromo-2-chloropyridin-3-yl)methanamine
Synonyms
(6-bromo-2-chloropyridin-3-yl)methanamine
CAS Number
1060815-70-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35793 external link Add to cart
Data Source Data ID Price
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AJA-O35793 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) -1.1834584  LogD (pH = 7.4) 0.22340699 
Log P 1.6798383  Molar Refractivity 46.7056 cm3
Polarizability 17.696548 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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