Home > Compound List > Compound details
351410-46-3 molecular structure
click picture or here to close

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

ChemBase ID: 54539
Molecular Formular: C7H8ClNO2
Molecular Mass: 173.59692
Monoisotopic Mass: 173.02435618
SMILES and InChIs

SMILES:
c1(cnc(c(c1)CO)OC)Cl
Canonical SMILES:
COc1ncc(cc1CO)Cl
InChI:
InChI=1S/C7H8ClNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-3,10H,4H2,1H3
InChIKey:
VZCJHBHRJBFNBL-UHFFFAOYSA-N

Cite this record

CBID:54539 http://www.chembase.cn/molecule-54539.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloro-2-methoxypyridin-3-yl)methanol
IUPAC Traditional name
(5-chloro-2-methoxypyridin-3-yl)methanol
Synonyms
(5-Chloro-2-methoxypyridin-3-yl)methanol
(5-Chloro-2-methoxypyridin-3-yl)methanol
CAS Number
351410-46-3
MDL Number
MFCD11977235
PubChem SID
162059302
PubChem CID
22678389

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.235601  H Acceptors
H Donor LogD (pH = 5.5) 1.029049 
LogD (pH = 7.4) 1.0290544  Log P 1.0290545 
Molar Refractivity 42.2985 cm3 Polarizability 16.350538 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C7H8ClNO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000185 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

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