Home > Compound List > Compound details
42330-59-6 molecular structure
click picture or here to close

(2-chloropyridin-3-yl)methanol

ChemBase ID: 40788
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
c1(c(CO)cccn1)Cl
Canonical SMILES:
OCc1cccnc1Cl
InChI:
InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKey:
HMPDWSBKPCOQDW-UHFFFAOYSA-N

Cite this record

CBID:40788 http://www.chembase.cn/molecule-40788.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloropyridin-3-yl)methanol
IUPAC Traditional name
(2-chloropyridin-3-yl)methanol
Synonyms
(2-Chloropyridin-3-yl)methanol
2-Chloro-3-(hydroxymethyl)pyridine 97%
2-Chloro-3-pyridinylmethanol
(2-chloropyridin-3-yl)methanol
(2-Chloro-3-pyridinyl)methanol
CAS Number
42330-59-6
MDL Number
MFCD01935961
PubChem SID
162045551
PubChem CID
2763647

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.416878  H Acceptors
H Donor LogD (pH = 5.5) 0.81243616 
LogD (pH = 7.4) 0.81244534  Log P 0.81244546 
Molar Refractivity 36.5831 cm3 Polarizability 13.85013 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-55°C expand Show data source
61 - 63°C expand Show data source
62 - 64 °C expand Show data source
62-64°C expand Show data source
Hydrophobicity(logP)
0.854 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
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
95% expand Show data source
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