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1020253-85-3 molecular structure
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6-bromo-5-methoxypyridin-3-amine

ChemBase ID: 294543
Molecular Formular: C6H7BrN2O
Molecular Mass: 203.03658
Monoisotopic Mass: 201.97417485
SMILES and InChIs

SMILES:
COc1c(Br)ncc(N)c1
Canonical SMILES:
COc1cc(N)cnc1Br
InChI:
InChI=1S/C6H7BrN2O/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,8H2,1H3
InChIKey:
VNJYEDKEMNOYBM-UHFFFAOYSA-N

Cite this record

CBID:294543 http://www.chembase.cn/molecule-294543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-5-methoxypyridin-3-amine
IUPAC Traditional name
6-bromo-5-methoxypyridin-3-amine
Synonyms
6-Bromo-5-methoxypyridin-3-amine
CAS Number
1020253-85-3
MDL Number
MFCD21603641
PubChem SID
180680074
PubChem CID
70700354

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD159323 Please log in.
Data Source Data ID
PubChem 70700354 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7431801  LogD (pH = 7.4) 0.7432499 
Log P 0.7432508  Molar Refractivity 43.5297 cm3
Polarizability 16.08552 Å3 Polar Surface Area 48.14 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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