Home > Compound List > Compound details
351410-47-4 molecular structure
click picture or here to close

(5-bromo-2-methoxypyridin-3-yl)methanol

ChemBase ID: 61509
Molecular Formular: C7H8BrNO2
Molecular Mass: 218.04792
Monoisotopic Mass: 216.9738405
SMILES and InChIs

SMILES:
c1(c(ncc(c1)Br)OC)CO
Canonical SMILES:
COc1ncc(cc1CO)Br
InChI:
InChI=1S/C7H8BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-3,10H,4H2,1H3
InChIKey:
PQCNLQJWEVAXSY-UHFFFAOYSA-N

Cite this record

CBID:61509 http://www.chembase.cn/molecule-61509.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-bromo-2-methoxypyridin-3-yl)methanol
IUPAC Traditional name
(5-bromo-2-methoxypyridin-3-yl)methanol
Synonyms
(5-Bromo-2-methoxypyridin-3-yl)methanol
CAS Number
351410-47-4
MDL Number
MFCD11840327
PubChem SID
162027250
PubChem CID
22678492

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22678492 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.258826  H Acceptors
H Donor LogD (pH = 5.5) 1.1937537 
LogD (pH = 7.4) 1.1937623  Log P 1.1937625 
Molar Refractivity 45.1165 cm3 Polarizability 17.3648 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.781 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% 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