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264920-46-9 molecular structure
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2-(bromodifluoromethyl)quinolin-8-ol

ChemBase ID: 798952
Molecular Formular: C10H6BrF2NO
Molecular Mass: 274.0615464
Monoisotopic Mass: 272.96008226
SMILES and InChIs

SMILES:
c1c(c2c(cc1)ccc(n2)C(F)(F)Br)O
Canonical SMILES:
Oc1cccc2c1nc(cc2)C(Br)(F)F
InChI:
InChI=1S/C10H6BrF2NO/c11-10(12,13)8-5-4-6-2-1-3-7(15)9(6)14-8/h1-5,15H
InChIKey:
RBXUSINCLHVCLS-UHFFFAOYSA-N

Cite this record

CBID:798952 http://www.chembase.cn/molecule-798952.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromodifluoromethyl)quinolin-8-ol
IUPAC Traditional name
2-(bromodifluoromethyl)quinolin-8-ol
Synonyms
2-(bromodifluoromethyl)-8-quinolinol
CAS Number
264920-46-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12757 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12757 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.237742  H Acceptors
H Donor LogD (pH = 5.5) 3.4478998 
LogD (pH = 7.4) 3.4418721  Log P 3.4480934 
Molar Refractivity 55.2052 cm3 Polarizability 21.701212 Å3
Polar Surface Area 33.12 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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