Home > Compound List > Compound details
958358-00-4 molecular structure
click picture or here to close

5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine

ChemBase ID: 289184
Molecular Formular: C8H7BrN2
Molecular Mass: 211.05858
Monoisotopic Mass: 209.97926023
SMILES and InChIs

SMILES:
Cc1c(Br)cc2c([nH]cc2)n1
Canonical SMILES:
Brc1cc2cc[nH]c2nc1C
InChI:
InChI=1S/C8H7BrN2/c1-5-7(9)4-6-2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChIKey:
LIWNOYGPTTTZOS-UHFFFAOYSA-N

Cite this record

CBID:289184 http://www.chembase.cn/molecule-289184.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine
IUPAC Traditional name
5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine
Synonyms
5-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine
CAS Number
958358-00-4
PubChem SID
180674715
PubChem CID
24729519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD217068 Please log in.
Data Source Data ID
PubChem 24729519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.345349  H Acceptors
H Donor LogD (pH = 5.5) 2.1171029 
LogD (pH = 7.4) 2.1218593  Log P 2.1219203 
Molar Refractivity 47.1545 cm3 Polarizability 18.50036 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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