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329946-26-1 molecular structure
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6-bromo-N-methoxy-N-methylpyridine-2-carboxamide

ChemBase ID: 808993
Molecular Formular: C8H9BrN2O2
Molecular Mass: 245.07326
Monoisotopic Mass: 243.98473954
SMILES and InChIs

SMILES:
n1c(cccc1Br)C(=O)N(C)OC
Canonical SMILES:
CN(C(=O)c1cccc(n1)Br)OC
InChI:
InChI=1S/C8H9BrN2O2/c1-11(13-2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3
InChIKey:
QYLHAPYUYGPBKW-UHFFFAOYSA-N

Cite this record

CBID:808993 http://www.chembase.cn/molecule-808993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-N-methoxy-N-methylpyridine-2-carboxamide
IUPAC Traditional name
6-bromo-N-methoxy-N-methylpyridine-2-carboxamide
Synonyms
6-BROMO-N-METHOXY-N-METHYLPYRIDINE-2-CARBOXAMIDE
CAS Number
329946-26-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27257 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27257 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) 1.5647937  LogD (pH = 7.4) 1.5647937 
Log P 1.5647937  Molar Refractivity 52.2161 cm3
Polarizability 19.684772 Å3 Polar Surface Area 42.43 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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