Home > Compound List > Compound details
1060809-69-9 molecular structure
click picture or here to close

4-amino-6-bromopyridine-3-carbaldehyde

ChemBase ID: 815179
Molecular Formular: C6H5BrN2O
Molecular Mass: 201.0207
Monoisotopic Mass: 199.95852479
SMILES and InChIs

SMILES:
c1(c(cnc(c1)Br)C=O)N
Canonical SMILES:
Nc1cc(Br)ncc1C=O
InChI:
InChI=1S/C6H5BrN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-3H,(H2,8,9)
InChIKey:
DRJIKOFVEUVPSW-UHFFFAOYSA-N

Cite this record

CBID:815179 http://www.chembase.cn/molecule-815179.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-6-bromopyridine-3-carbaldehyde
IUPAC Traditional name
4-amino-6-bromopyridine-3-carbaldehyde
Synonyms
4-amino-6-bromonicotinaldehyde
CAS Number
1060809-69-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37441 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37441 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) 1.2406782  LogD (pH = 7.4) 1.26313 
Log P 1.2634244  Molar Refractivity 43.6505 cm3
Polarizability 15.483585 Å3 Polar Surface Area 55.98 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