Home > Compound List > Compound details
1060804-71-8 molecular structure
click picture or here to close

6-bromo-4-methylpyridine-2-carbaldehyde

ChemBase ID: 815060
Molecular Formular: C7H6BrNO
Molecular Mass: 200.03264
Monoisotopic Mass: 198.96327582
SMILES and InChIs

SMILES:
c1(cc(nc(c1)C=O)Br)C
Canonical SMILES:
O=Cc1cc(C)cc(n1)Br
InChI:
InChI=1S/C7H6BrNO/c1-5-2-6(4-10)9-7(8)3-5/h2-4H,1H3
InChIKey:
NUHSQYZABODZGZ-UHFFFAOYSA-N

Cite this record

CBID:815060 http://www.chembase.cn/molecule-815060.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-methylpyridine-2-carbaldehyde
IUPAC Traditional name
6-bromo-4-methylpyridine-2-carbaldehyde
Synonyms
6-bromo-4-methylpicolinaldehyde
CAS Number
1060804-71-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37312 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37312 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) 2.6303082  LogD (pH = 7.4) 2.6303148 
Log P 2.6303148  Molar Refractivity 43.6061 cm3
Polarizability 16.040205 Å3 Polar Surface Area 29.96 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