Home > Compound List > Compound details
118399-86-3 molecular structure
click picture or here to close

6-bromo-2-methylpyridin-3-ol

ChemBase ID: 289248
Molecular Formular: C6H6BrNO
Molecular Mass: 188.02194
Monoisotopic Mass: 186.96327582
SMILES and InChIs

SMILES:
Oc1ccc(Br)nc1C
Canonical SMILES:
Brc1ccc(c(n1)C)O
InChI:
InChI=1S/C6H6BrNO/c1-4-5(9)2-3-6(7)8-4/h2-3,9H,1H3
InChIKey:
NZEZVKXETZALTH-UHFFFAOYSA-N

Cite this record

CBID:289248 http://www.chembase.cn/molecule-289248.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-methylpyridin-3-ol
IUPAC Traditional name
6-bromo-2-methylpyridin-3-ol
Synonyms
6-Bromo-2-methylpyridin-3-ol
CAS Number
118399-86-3
MDL Number
MFCD11044277
PubChem SID
180674779
PubChem CID
11194787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11194787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.724939  H Acceptors
H Donor LogD (pH = 5.5) 1.5570071 
LogD (pH = 7.4) 1.537926  Log P 1.5576528 
Molar Refractivity 38.9385 cm3 Polarizability 14.769689 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle