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1060810-74-3 molecular structure
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2-amino-6-(trifluoromethyl)pyridine-4-carboxylic acid

ChemBase ID: 814824
Molecular Formular: C7H5F3N2O2
Molecular Mass: 206.1220096
Monoisotopic Mass: 206.03031207
SMILES and InChIs

SMILES:
OC(=O)c1cc(nc(c1)C(F)(F)F)N
Canonical SMILES:
Nc1cc(cc(n1)C(F)(F)F)C(=O)O
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-3(6(13)14)2-5(11)12-4/h1-2H,(H2,11,12)(H,13,14)
InChIKey:
WUSDNQRKIXQIQG-UHFFFAOYSA-N

Cite this record

CBID:814824 http://www.chembase.cn/molecule-814824.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6-(trifluoromethyl)pyridine-4-carboxylic acid
IUPAC Traditional name
2-amino-6-(trifluoromethyl)pyridine-4-carboxylic acid
Synonyms
2-amino-6-(trifluoromethyl)isonicotinic acid
CAS Number
1060810-74-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37056 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37056 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3264084  H Acceptors
H Donor LogD (pH = 5.5) 0.24220333 
LogD (pH = 7.4) -1.501458  Log P 1.4423866 
Molar Refractivity 41.7729 cm3 Polarizability 14.471681 Å3
Polar Surface Area 76.21 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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