Home > Compound List > Compound details
108279-89-6 molecular structure
click picture or here to close

(2-chloro-6-methoxypyridin-4-yl)methanol

ChemBase ID: 112950
Molecular Formular: C7H8ClNO2
Molecular Mass: 173.59692
Monoisotopic Mass: 173.02435618
SMILES and InChIs

SMILES:
n1c(cc(cc1OC)CO)Cl
Canonical SMILES:
COc1cc(CO)cc(n1)Cl
InChI:
InChI=1S/C7H8ClNO2/c1-11-7-3-5(4-10)2-6(8)9-7/h2-3,10H,4H2,1H3
InChIKey:
LGAAPDVGNCACDI-UHFFFAOYSA-N

Cite this record

CBID:112950 http://www.chembase.cn/molecule-112950.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloro-6-methoxypyridin-4-yl)methanol
IUPAC Traditional name
(2-chloro-6-methoxypyridin-4-yl)methanol
Synonyms
(2-chloro-6-methoxypyridin-4-yl)methanol
(2-CHLORO-6-METHOXY-PYRIDIN-4-YL)-METHANOL
CAS Number
108279-89-6
MDL Number
MFCD09029989
PubChem SID
162097960
PubChem CID
11457961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11457961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.625382  H Acceptors
H Donor LogD (pH = 5.5) 1.2492316 
LogD (pH = 7.4) 1.2492317  Log P 1.2492317 
Molar Refractivity 43.3598 cm3 Polarizability 16.403568 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
101 - 103 °C expand Show data source
Purity
>95% expand Show data source
98% 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