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337535-94-1 molecular structure
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6-bromo-N-methylpyridine-2-carboxamide

ChemBase ID: 290891
Molecular Formular: C7H7BrN2O
Molecular Mass: 215.04728
Monoisotopic Mass: 213.97417485
SMILES and InChIs

SMILES:
O=C(NC)c1nc(Br)ccc1
Canonical SMILES:
CNC(=O)c1cccc(n1)Br
InChI:
InChI=1S/C7H7BrN2O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H,9,11)
InChIKey:
LWRUIQMLRILQEJ-UHFFFAOYSA-N

Cite this record

CBID:290891 http://www.chembase.cn/molecule-290891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-N-methylpyridine-2-carboxamide
IUPAC Traditional name
6-bromo-N-methylpyridine-2-carboxamide
Synonyms
6-Bromo-N-methylpicolinamide
CAS Number
337535-94-1
PubChem SID
180676422
PubChem CID
22049738

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230355 Please log in.
Data Source Data ID
PubChem 22049738 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.228427  H Acceptors
H Donor LogD (pH = 5.5) 1.1900147 
LogD (pH = 7.4) 1.1900146  Log P 1.1900147 
Molar Refractivity 45.9692 cm3 Polarizability 17.107174 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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