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886762-09-0 molecular structure
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3-chloro-6-(trifluoromethyl)pyridin-2-amine

ChemBase ID: 812730
Molecular Formular: C6H4ClF3N2
Molecular Mass: 196.5575696
Monoisotopic Mass: 196.00151048
SMILES and InChIs

SMILES:
n1c(c(ccc1C(F)(F)F)Cl)N
Canonical SMILES:
Clc1ccc(nc1N)C(F)(F)F
InChI:
InChI=1S/C6H4ClF3N2/c7-3-1-2-4(6(8,9)10)12-5(3)11/h1-2H,(H2,11,12)
InChIKey:
MXLDGVNJAZZYGE-UHFFFAOYSA-N

Cite this record

CBID:812730 http://www.chembase.cn/molecule-812730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-6-(trifluoromethyl)pyridin-2-amine
IUPAC Traditional name
3-chloro-6-(trifluoromethyl)pyridin-2-amine
Synonyms
2-AMINO-3-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE
CAS Number
886762-09-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33239 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33239 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.758226  H Acceptors
H Donor LogD (pH = 5.5) 2.3888113 
LogD (pH = 7.4) 2.388848  Log P 2.3888485 
Molar Refractivity 39.3215 cm3 Polarizability 13.926883 Å3
Polar Surface Area 38.91 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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