Home > Compound List > Compound details
443649-18-1 molecular structure
click picture or here to close

5-amino-6-methylpyridin-3-ol

ChemBase ID: 180418
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
c1(c(cc(cn1)O)N)C
Canonical SMILES:
Oc1cnc(c(c1)N)C
InChI:
InChI=1S/C6H8N2O/c1-4-6(7)2-5(9)3-8-4/h2-3,9H,7H2,1H3
InChIKey:
WYTFHCNXBFVNHV-UHFFFAOYSA-N

Cite this record

CBID:180418 http://www.chembase.cn/molecule-180418.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-6-methylpyridin-3-ol
IUPAC Traditional name
5-amino-6-methylpyridin-3-ol
Synonyms
3-Amino-5-hydroxymethylpyridine
CAS Number
443649-18-1
PubChem SID
164236328
PubChem CID
66545384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHH00324 external link Add to cart Please log in.
Data Source Data ID
PubChem 66545384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.43588  H Acceptors
H Donor LogD (pH = 5.5) -1.0389612 
LogD (pH = 7.4) -0.28372282  Log P -0.24554771 
Molar Refractivity 35.1739 cm3 Polarizability 12.946804 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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