Home > Compound List > Compound details
50501-38-7 molecular structure
click picture or here to close

6-(hydroxymethyl)pyridine-2-carbonitrile

ChemBase ID: 810564
Molecular Formular: C7H6N2O
Molecular Mass: 134.13534
Monoisotopic Mass: 134.04801282
SMILES and InChIs

SMILES:
n1c(cccc1CO)C#N
Canonical SMILES:
OCc1cccc(n1)C#N
InChI:
InChI=1S/C7H6N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,5H2
InChIKey:
VNXYECKZHAPGDI-UHFFFAOYSA-N

Cite this record

CBID:810564 http://www.chembase.cn/molecule-810564.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(hydroxymethyl)pyridine-2-carbonitrile
IUPAC Traditional name
6-(hydroxymethyl)pyridine-2-carbonitrile
Synonyms
6-(HYDROXYMETHYL)-2-PYRIDINECARBONITRILE
CAS Number
50501-38-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29256 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29256 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.15962  H Acceptors
H Donor LogD (pH = 5.5) 0.3116371 
LogD (pH = 7.4) 0.3116419  Log P 0.31164202 
Molar Refractivity 35.5444 cm3 Polarizability 13.7298765 Å3
Polar Surface Area 56.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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