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1346687-07-7 molecular structure
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[5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol

ChemBase ID: 795698
Molecular Formular: C11H9BrN2O
Molecular Mass: 265.10596
Monoisotopic Mass: 263.98982492
SMILES and InChIs

SMILES:
C(O)c1cc(c2nc(ccc2)Br)cnc1
Canonical SMILES:
OCc1cncc(c1)c1cccc(n1)Br
InChI:
InChI=1S/C11H9BrN2O/c12-11-3-1-2-10(14-11)9-4-8(7-15)5-13-6-9/h1-6,15H,7H2
InChIKey:
NGSHSZHSVHLWPQ-UHFFFAOYSA-N

Cite this record

CBID:795698 http://www.chembase.cn/molecule-795698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol
Synonyms
(6-BroMo-[2,3'-bipyridin]-5'-yl)Methanol
CAS Number
1346687-07-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O149 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O149 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.58987  H Acceptors
H Donor LogD (pH = 5.5) 1.768298 
LogD (pH = 7.4) 1.777779  Log P 1.7779015 
Molar Refractivity 61.7893 cm3 Polarizability 24.70398 Å3
Polar Surface Area 46.01 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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