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1196157-49-9 molecular structure
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5-chloro-2-(trifluoromethyl)pyridin-4-ol

ChemBase ID: 814235
Molecular Formular: C6H3ClF3NO
Molecular Mass: 197.5423296
Monoisotopic Mass: 196.98552606
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Cl)O)C(F)(F)F
Canonical SMILES:
Clc1cnc(cc1O)C(F)(F)F
InChI:
InChI=1S/C6H3ClF3NO/c7-3-2-11-5(1-4(3)12)6(8,9)10/h1-2H,(H,11,12)
InChIKey:
QWOUKFQXMQOAGO-UHFFFAOYSA-N

Cite this record

CBID:814235 http://www.chembase.cn/molecule-814235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-(trifluoromethyl)pyridin-4-ol
IUPAC Traditional name
5-chloro-2-(trifluoromethyl)pyridin-4-ol
Synonyms
5-chloro-2-(trifluoromethyl)pyridin-4-ol
CAS Number
1196157-49-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36390 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36390 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.138227  H Acceptors
H Donor LogD (pH = 5.5) 2.3187752 
LogD (pH = 7.4) 2.248598  Log P 2.3197515 
Molar Refractivity 36.2885 cm3 Polarizability 13.497727 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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