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221313-11-7 molecular structure
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6-(trifluoromethyl)pyridine-3-carboximidamide hydrochloride

ChemBase ID: 10079
Molecular Formular: C7H7ClF3N3
Molecular Mass: 225.5987896
Monoisotopic Mass: 225.02805958
SMILES and InChIs

SMILES:
c1c(ncc(c1)C(=N)N)C(F)(F)F.Cl
Canonical SMILES:
NC(=N)c1ccc(nc1)C(F)(F)F.Cl
InChI:
InChI=1S/C7H6F3N3.ClH/c8-7(9,10)5-2-1-4(3-13-5)6(11)12;/h1-3H,(H3,11,12);1H
InChIKey:
HUKUESHULWUKHP-UHFFFAOYSA-N

Cite this record

CBID:10079 http://www.chembase.cn/molecule-10079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(trifluoromethyl)pyridine-3-carboximidamide hydrochloride
IUPAC Traditional name
6-(trifluoromethyl)pyridine-3-carboximidamide hydrochloride
Synonyms
6-(Trifluoromethyl)nicotinamidine hydrochloride 99%
6-(Trifluoromethyl)pyridine-3-amidine hydrochloride
CAS Number
221313-11-7
MDL Number
MFCD01862652
PubChem SID
160973386
PubChem CID
2760777

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2760777 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4722309  LogD (pH = 7.4) -1.2611829 
Log P 0.93974066  Molar Refractivity 51.1753 cm3
Polarizability 14.43524 Å3 Polar Surface Area 62.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
191-193°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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