Home > Compound List > Compound details
6320-39-4 molecular structure
click picture or here to close

3-amino-1,4-dihydropyridin-4-one

ChemBase ID: 294474
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
O=c1cc[nH]cc1N
Canonical SMILES:
O=c1cc[nH]cc1N
InChI:
InChI=1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey:
OIIBRAGQGFLUFI-UHFFFAOYSA-N

Cite this record

CBID:294474 http://www.chembase.cn/molecule-294474.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-1,4-dihydropyridin-4-one
IUPAC Traditional name
3-amino-1H-pyridin-4-one
Synonyms
3-Amino-4-hydroxypyridine
CAS Number
6320-39-4
MDL Number
MFCD04114230
PubChem SID
180680005
PubChem CID
233392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD9596 Please log in.
Data Source Data ID
PubChem 233392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.5  H Acceptors
H Donor LogD (pH = 5.5) -0.61025536 
LogD (pH = 7.4) -0.6102537  Log P -0.61025363 
Molar Refractivity 31.2413 cm3 Polarizability 11.088442 Å3
Polar Surface Area 55.12 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