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1060810-32-2 molecular structure
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[5-chloro-2-(trifluoromethyl)pyridin-4-yl]methanamine

ChemBase ID: 813693
Molecular Formular: C7H6ClF3N2
Molecular Mass: 210.5841496
Monoisotopic Mass: 210.01716054
SMILES and InChIs

SMILES:
C(N)c1cc(ncc1Cl)C(F)(F)F
Canonical SMILES:
NCc1cc(ncc1Cl)C(F)(F)F
InChI:
InChI=1S/C7H6ClF3N2/c8-5-3-13-6(7(9,10)11)1-4(5)2-12/h1,3H,2,12H2
InChIKey:
ITVHGFZXDGTVEL-UHFFFAOYSA-N

Cite this record

CBID:813693 http://www.chembase.cn/molecule-813693.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-chloro-2-(trifluoromethyl)pyridin-4-yl]methanamine
IUPAC Traditional name
[5-chloro-2-(trifluoromethyl)pyridin-4-yl]methanamine
Synonyms
(5-chloro-2-(trifluoromethyl)pyridin-4-yl)methanamine
CAS Number
1060810-32-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35770 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35770 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.122841  LogD (pH = 7.4) 0.26702455 
Log P 1.7490853  Molar Refractivity 42.781 cm3
Polarizability 16.020384 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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