Home > Compound List > Compound details
40472-88-6 molecular structure
click picture or here to close

2-(5-bromopyridin-3-yl)propan-2-ol

ChemBase ID: 310052
Molecular Formular: C8H10BrNO
Molecular Mass: 216.0751
Monoisotopic Mass: 214.99457595
SMILES and InChIs

SMILES:
c1(C(O)(C)C)cc(Br)cnc1
Canonical SMILES:
CC(c1cncc(c1)Br)(O)C
InChI:
InChI=1S/C8H10BrNO/c1-8(2,11)6-3-7(9)5-10-4-6/h3-5,11H,1-2H3
InChIKey:
BTIWBTYSCGIKRO-UHFFFAOYSA-N

Cite this record

CBID:310052 http://www.chembase.cn/molecule-310052.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-bromopyridin-3-yl)propan-2-ol
IUPAC Traditional name
2-(5-bromopyridin-3-yl)propan-2-ol
Synonyms
2-(5-bromo-3-pyridinyl)-2-propanol
CAS Number
40472-88-6
MDL Number
MFCD16988536

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4047486 external link Add to cart
Data Source Data ID Price
ChemBridge
4047486 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) 1.4529054  LogD (pH = 7.4) 1.4541124 
Log P 1.4541279  Molar Refractivity 47.3968 cm3
Polarizability 18.403204 Å3 Polar Surface Area 33.12 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