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1196154-31-0 molecular structure
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4-chloro-6-(trifluoromethyl)pyridin-2-ol

ChemBase ID: 814170
Molecular Formular: C6H3ClF3NO
Molecular Mass: 197.5423296
Monoisotopic Mass: 196.98552606
SMILES and InChIs

SMILES:
n1c(cc(cc1C(F)(F)F)Cl)O
Canonical SMILES:
Clc1cc(O)nc(c1)C(F)(F)F
InChI:
InChI=1S/C6H3ClF3NO/c7-3-1-4(6(8,9)10)11-5(12)2-3/h1-2H,(H,11,12)
InChIKey:
LNTLUQMPRZENCS-UHFFFAOYSA-N

Cite this record

CBID:814170 http://www.chembase.cn/molecule-814170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-(trifluoromethyl)pyridin-2-ol
IUPAC Traditional name
4-chloro-6-(trifluoromethyl)pyridin-2-ol
Synonyms
4-chloro-6-(trifluoromethyl)pyridin-2-ol
CAS Number
1196154-31-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36316 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36316 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.121375  H Acceptors
H Donor LogD (pH = 5.5) 2.9141989 
LogD (pH = 7.4) 2.9133956  Log P 2.9142091 
Molar Refractivity 36.602 cm3 Polarizability 13.4809 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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