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1184916-24-2 molecular structure
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{6-chloroimidazo[1,2-b]pyridazin-2-yl}methanol

ChemBase ID: 65069
Molecular Formular: C7H6ClN3O
Molecular Mass: 183.59504
Monoisotopic Mass: 183.01993951
SMILES and InChIs

SMILES:
c1(nn2c(cc1)nc(c2)CO)Cl
Canonical SMILES:
OCc1cn2c(n1)ccc(n2)Cl
InChI:
InChI=1S/C7H6ClN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2
InChIKey:
NNACWOFKWGHMIQ-UHFFFAOYSA-N

Cite this record

CBID:65069 http://www.chembase.cn/molecule-65069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{6-chloroimidazo[1,2-b]pyridazin-2-yl}methanol
IUPAC Traditional name
{6-chloroimidazo[1,2-b]pyridazin-2-yl}methanol
Synonyms
6-Chloroimidazo[1,2-b]pyridazinemethanol
CAS Number
1184916-24-2
MDL Number
MFCD12406086
PubChem SID
162030808
PubChem CID
42609596

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070400 external link Add to cart Please log in.
Data Source Data ID
PubChem 42609596 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.169222  H Acceptors
H Donor LogD (pH = 5.5) 0.7362062 
LogD (pH = 7.4) 0.7905745  Log P 0.79131657 
Molar Refractivity 55.9334 cm3 Polarizability 16.87369 Å3
Polar Surface Area 50.42 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
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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