Home > Compound List > Compound details
1206969-73-4 molecular structure
click picture or here to close

4-iodo-2-methoxypyridine-3-carbonitrile

ChemBase ID: 309128
Molecular Formular: C7H5IN2O
Molecular Mass: 260.03187
Monoisotopic Mass: 259.94466079
SMILES and InChIs

SMILES:
c1(c(nccc1I)OC)C#N
Canonical SMILES:
COc1nccc(c1C#N)I
InChI:
InChI=1S/C7H5IN2O/c1-11-7-5(4-9)6(8)2-3-10-7/h2-3H,1H3
InChIKey:
NCMZKRGEPQKODP-UHFFFAOYSA-N

Cite this record

CBID:309128 http://www.chembase.cn/molecule-309128.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodo-2-methoxypyridine-3-carbonitrile
IUPAC Traditional name
4-iodo-2-methoxypyridine-3-carbonitrile
Synonyms
4-iodo-2-methoxynicotinonitrile
CAS Number
1206969-73-4
MDL Number
MFCD14585335

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4036781 external link Add to cart
Data Source Data ID Price
ChemBridge
4036781 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9774003  LogD (pH = 7.4) 1.9774003 
Log P 1.9774003  Molar Refractivity 49.7619 cm3
Polarizability 19.104853 Å3 Polar Surface Area 45.91 Å2

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