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72587-18-9 molecular structure
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2-chloro-5-(trifluoromethyl)pyridin-3-amine

ChemBase ID: 51116
Molecular Formular: C6H4ClF3N2
Molecular Mass: 196.5575696
Monoisotopic Mass: 196.00151048
SMILES and InChIs

SMILES:
c1(c(cc(cn1)C(F)(F)F)N)Cl
Canonical SMILES:
Clc1ncc(cc1N)C(F)(F)F
InChI:
InChI=1S/C6H4ClF3N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2
InChIKey:
HABKYPVMMHBOIW-UHFFFAOYSA-N

Cite this record

CBID:51116 http://www.chembase.cn/molecule-51116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-(trifluoromethyl)pyridin-3-amine
IUPAC Traditional name
2-chloro-5-(trifluoromethyl)pyridin-3-amine
Synonyms
2-Chloro-5-(trifluoromethyl)pyridin-3-amine
3-Amino-2-chloro-5-(trifluoromethyl)pyridine
CAS Number
72587-18-9
MDL Number
MFCD07375383
PubChem SID
162055879
PubChem CID
12919757

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6287143  LogD (pH = 7.4) 1.6287178 
Log P 1.6287178  Molar Refractivity 40.4413 cm3
Polarizability 13.963758 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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